1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

C127H204O20 — CID 157412308

IUPAC1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCCCC1.C=C(C)C(=O)OC(C)(C1CCCCC1)C1CCCCC1.C=C(C)C(=O)OC(C)OC12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1(C)CCCCC1.C=C(C)C(=O)OC1(C)CCCCCC1.C=CC(=O)OC(C)(C1CCCCC1)C1CCCCC1.C=CC(=O)OC(C)OC12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1(C)CC2CCC1(C)C2(C)C.C=CC(=O)OC1(C)CCCCCC1
InChIInChI=1S/C18H30O2.C17H28O2.C16H24O3.C15H22O3.C14H22O2.C13H22O2.C12H20O2.2C11H18O2/c1-14(2)17(19)20-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-3-16(18)19-17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-10(2)15(17)18-11(3)19-16-7-12-4-13(8-16)6-14(5-12)9-16;1-3-14(16)17-10(2)18-15-7-11-4-12(8-15)6-13(5-11)9-15;1-6-11(15)16-14(5)9-10-7-8-13(14,4)12(10,2)3;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-10(2)11(13)14-12(3)8-6-4-5-7-9-12;1-9(2)10(12)13-11(3)7-5-4-6-8-11;1-3-10(12)13-11(2)8-6-4-5-7-9-11/h15-16H,1,4-13H2,2-3H3;3,14-15H,1,4-13H2,2H3;11-14H,1,4-9H2,2-3H3;3,10-13H,1,4-9H2,2H3;6,10H,1,7-9H2,2-5H3;11H,1,5-9H2,2-4H3;1,4-9H2,2-3H3;1,4-8H2,2-3H3;3H,1,4-9H2,2H3
InChIKeyBOKTVKBYJSSTIT-UHFFFAOYSA-N
MW2051.01 g/mol
LogP31.80
Rot. Bonds27

About 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (PubChem CID 157412308) has the molecular formula C127H204O20 and a molecular weight of 2051.01 g/mol. Its IUPAC name is 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.

Molecular Properties

Compound Name1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
PubChem CID157412308
Molecular FormulaC127H204O20
Molecular Weight2051.01 g/mol
Exact Mass2049.49
IUPAC Name1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCCCC1.C=C(C)C(=O)OC(C)(C1CCCCC1)C1CCCCC1.C=C(C)C(=O)OC(C)OC12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1(C)CCCCC1.C=C(C)C(=O)OC1(C)CCCCCC1.C=CC(=O)OC(C)(C1CCCCC1)C1CCCCC1.C=CC(=O)OC(C)OC12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1(C)CC2CCC1(C)C2(C)C.C=CC(=O)OC1(C)CCCCCC1
InChIInChI=1S/C18H30O2.C17H28O2.C16H24O3.C15H22O3.C14H22O2.C13H22O2.C12H20O2.2C11H18O2/c1-14(2)17(19)20-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-3-16(18)19-17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-10(2)15(17)18-11(3)19-16-7-12-4-13(8-16)6-14(5-12)9-16;1-3-14(16)17-10(2)18-15-7-11-4-12(8-15)6-13(5-11)9-15;1-6-11(15)16-14(5)9-10-7-8-13(14,4)12(10,2)3;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-10(2)11(13)14-12(3)8-6-4-5-7-9-12;1-9(2)10(12)13-11(3)7-5-4-6-8-11;1-3-10(12)13-11(2)8-6-4-5-7-9-11/h15-16H,1,4-13H2,2-3H3;3,14-15H,1,4-13H2,2H3;11-14H,1,4-9H2,2-3H3;3,10-13H,1,4-9H2,2H3;6,10H,1,7-9H2,2-5H3;11H,1,5-9H2,2-4H3;1,4-9H2,2-3H3;1,4-8H2,2-3H3;3H,1,4-9H2,2H3
InChIKeyBOKTVKBYJSSTIT-UHFFFAOYSA-N
XLogP31.80
TPSA255.16 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002051.01
LogP ≤ 531.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The IUPAC name of 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (CID 157412308) is 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.
What is the SMILES notation for 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The canonical SMILES for 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is C=C(C)C(=O)OC(C)(C)C1CCCCC1.C=C(C)C(=O)OC(C)(C1CCCCC1)C1CCCCC1.C=C(C)C(=O)OC(C)OC12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1(C)CCCCC1.C=C(C)C(=O)OC1(C)CCCCCC1.C=CC(=O)OC(C)(C1CCCCC1)C1CCCCC1.C=CC(=O)OC(C)OC12CC3CC(CC(C3)C1)C2.C=CC(=O)OC1(C)CC2CCC1(C)C2(C)C.C=CC(=O)OC1(C)CCCCCC1.
What is the InChIKey of 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The InChIKey is BOKTVKBYJSSTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2.C17H28O2.C16H24O3.C15H22O3.C14H22O2.C13H22O2.C12H20O2.2C11H18O2/c1-14(2)17(19)20-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-3-16(18)19-17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-10(2)15(17)18-11(3)19-16-7-12-4-13(8-16)6-14(5-12)9-16;1-3-14(16)17-10(2)18-15-7-11-4-12(8-15)6-13(5-11)9-15;1-6-11(15)16-14(5)9-10-7-8-13(14,4)12(10,2)3;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-10(2)11(13)14-12(3)8-6-4-5-7-9-12;1-9(2)10(12)13-11(3)7-5-4-6-8-11;1-3-10(12)13-11(2)8-6-4-5-7-9-11/h15-16H,1,4-13H2,2-3H3;3,14-15H,1,4-13H2,2H3;11-14H,1,4-9H2,2-3H3;3,10-13H,1,4-9H2,2H3;6,10H,1,7-9H2,2-5H3;11H,1,5-9H2,2-4H3;1,4-9H2,2-3H3;1,4-8H2,2-3H3;3H,1,4-9H2,2H3.
What are the key properties of 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate has a molecular weight of 2051.01 g/mol, XLogP of 31.80, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(1-adamantyloxy)ethyl prop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) prop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is sourced from PubChem (CID 157412308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).