(2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate

C135H188O14 — CID 159403437

IUPAC(2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate
SMILESC.C.C.C.C.C=C(C)C(=O)OC1(C(C)C)CCCc2ccccc2C1.C=C(C)C(=O)OC1(C)CCCc2ccccc2CC1.C=C(C)C(=O)OC1(C)Cc2ccccc2CCC12CCC2.C=C(C)C(=O)OC1(C)Cc2ccccc2CCC12CCCC2.C=C(C)C(=O)OC1(C)Cc2ccccc2CCC12CCCCC2.C=C(C)C(=O)OC1(CC)CCCc2ccccc2C1.C=C(C)C(=O)OC1(CC)Cc2ccccc2CC12CC2
InChIInChI=1S/C21H28O2.C20H26O2.C19H24O2.C18H22O2.C18H24O2.2C17H22O2.5CH4/c1-16(2)19(22)23-20(3)15-18-10-6-5-9-17(18)11-14-21(20)12-7-4-8-13-21;1-15(2)18(21)22-19(3)14-17-9-5-4-8-16(17)10-13-20(19)11-6-7-12-20;1-14(2)17(20)21-18(3)13-16-8-5-4-7-15(16)9-12-19(18)10-6-11-19;1-4-18(20-16(19)13(2)3)12-15-8-6-5-7-14(15)11-17(18)9-10-17;1-13(2)17(19)20-18(14(3)4)11-7-10-15-8-5-6-9-16(15)12-18;1-13(2)16(18)19-17(3)11-6-9-14-7-4-5-8-15(14)10-12-17;1-4-17(19-16(18)13(2)3)11-7-10-14-8-5-6-9-15(14)12-17;;;;;/h5-6,9-10H,1,4,7-8,11-15H2,2-3H3;4-5,8-9H,1,6-7,10-14H2,2-3H3;4-5,7-8H,1,6,9-13H2,2-3H3;5-8H,2,4,9-12H2,1,3H3;5-6,8-9,14H,1,7,10-12H2,2-4H3;4-5,7-8H,1,6,9-12H2,2-3H3;5-6,8-9H,2,4,7,10-12H2,1,3H3;5*1H4
InChIKeyLNQNUKYWZGVHOL-UHFFFAOYSA-N
MW2034.97 g/mol
LogP32.60
Rot. Bonds17

About (2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate

(2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate (PubChem CID 159403437) has the molecular formula C135H188O14 and a molecular weight of 2034.97 g/mol. Its IUPAC name is (2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate
PubChem CID159403437
Molecular FormulaC135H188O14
Molecular Weight2034.97 g/mol
Exact Mass2033.40
IUPAC Name(2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate
SMILESC.C.C.C.C.C=C(C)C(=O)OC1(C(C)C)CCCc2ccccc2C1.C=C(C)C(=O)OC1(C)CCCc2ccccc2CC1.C=C(C)C(=O)OC1(C)Cc2ccccc2CCC12CCC2.C=C(C)C(=O)OC1(C)Cc2ccccc2CCC12CCCC2.C=C(C)C(=O)OC1(C)Cc2ccccc2CCC12CCCCC2.C=C(C)C(=O)OC1(CC)CCCc2ccccc2C1.C=C(C)C(=O)OC1(CC)Cc2ccccc2CC12CC2
InChIInChI=1S/C21H28O2.C20H26O2.C19H24O2.C18H22O2.C18H24O2.2C17H22O2.5CH4/c1-16(2)19(22)23-20(3)15-18-10-6-5-9-17(18)11-14-21(20)12-7-4-8-13-21;1-15(2)18(21)22-19(3)14-17-9-5-4-8-16(17)10-13-20(19)11-6-7-12-20;1-14(2)17(20)21-18(3)13-16-8-5-4-7-15(16)9-12-19(18)10-6-11-19;1-4-18(20-16(19)13(2)3)12-15-8-6-5-7-14(15)11-17(18)9-10-17;1-13(2)17(19)20-18(14(3)4)11-7-10-15-8-5-6-9-16(15)12-18;1-13(2)16(18)19-17(3)11-6-9-14-7-4-5-8-15(14)10-12-17;1-4-17(19-16(18)13(2)3)11-7-10-14-8-5-6-9-15(14)12-17;;;;;/h5-6,9-10H,1,4,7-8,11-15H2,2-3H3;4-5,8-9H,1,6-7,10-14H2,2-3H3;4-5,7-8H,1,6,9-13H2,2-3H3;5-8H,2,4,9-12H2,1,3H3;5-6,8-9,14H,1,7,10-12H2,2-4H3;4-5,7-8H,1,6,9-12H2,2-3H3;5-6,8-9H,2,4,7,10-12H2,1,3H3;5*1H4
InChIKeyLNQNUKYWZGVHOL-UHFFFAOYSA-N
XLogP32.60
TPSA184.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms149
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002034.97
LogP ≤ 532.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate (CID 159403437) is (2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate is C.C.C.C.C.C=C(C)C(=O)OC1(C(C)C)CCCc2ccccc2C1.C=C(C)C(=O)OC1(C)CCCc2ccccc2CC1.C=C(C)C(=O)OC1(C)Cc2ccccc2CCC12CCC2.C=C(C)C(=O)OC1(C)Cc2ccccc2CCC12CCCC2.C=C(C)C(=O)OC1(C)Cc2ccccc2CCC12CCCCC2.C=C(C)C(=O)OC1(CC)CCCc2ccccc2C1.C=C(C)C(=O)OC1(CC)Cc2ccccc2CC12CC2.
What is the InChIKey of (2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate?
The InChIKey is LNQNUKYWZGVHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2.C20H26O2.C19H24O2.C18H22O2.C18H24O2.2C17H22O2.5CH4/c1-16(2)19(22)23-20(3)15-18-10-6-5-9-17(18)11-14-21(20)12-7-4-8-13-21;1-15(2)18(21)22-19(3)14-17-9-5-4-8-16(17)10-13-20(19)11-6-7-12-20;1-14(2)17(20)21-18(3)13-16-8-5-4-7-15(16)9-12-19(18)10-6-11-19;1-4-18(20-16(19)13(2)3)12-15-8-6-5-7-14(15)11-17(18)9-10-17;1-13(2)17(19)20-18(14(3)4)11-7-10-15-8-5-6-9-16(15)12-18;1-13(2)16(18)19-17(3)11-6-9-14-7-4-5-8-15(14)10-12-17;1-4-17(19-16(18)13(2)3)11-7-10-14-8-5-6-9-15(14)12-17;;;;;/h5-6,9-10H,1,4,7-8,11-15H2,2-3H3;4-5,8-9H,1,6-7,10-14H2,2-3H3;4-5,7-8H,1,6,9-13H2,2-3H3;5-8H,2,4,9-12H2,1,3H3;5-6,8-9,14H,1,7,10-12H2,2-4H3;4-5,7-8H,1,6,9-12H2,2-3H3;5-6,8-9H,2,4,7,10-12H2,1,3H3;5*1H4.
What are the key properties of (2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate?
(2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate has a molecular weight of 2034.97 g/mol, XLogP of 32.60, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylspiro[1,4-dihydronaphthalene-3,1'-cyclopropane]-2-yl) 2-methylprop-2-enoate;(6-ethyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate;methane;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclobutane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclohexane]-6-yl) 2-methylprop-2-enoate;(6-methylspiro[8,9-dihydro-5H-benzo[7]annulene-7,1'-cyclopentane]-6-yl) 2-methylprop-2-enoate;(7-methyl-6,8,9,10-tetrahydro-5H-benzo[8]annulen-7-yl) 2-methylprop-2-enoate;(6-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 159403437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).