(1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate

C19H24O2 — CID 58341747

IUPAC(1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)c2ccccc2CC12CCCCC2
InChIInChI=1S/C19H24O2/c1-14(2)17(20)21-18(3)16-10-6-5-9-15(16)13-19(18)11-7-4-8-12-19/h5-6,9-10H,1,4,7-8,11-13H2,2-3H3
InChIKeyJPRSBSUTQCPOME-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.53
Rot. Bonds2

About (1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate

(1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate (PubChem CID 58341747) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate
PubChem CID58341747
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)c2ccccc2CC12CCCCC2
InChIInChI=1S/C19H24O2/c1-14(2)17(20)21-18(3)16-10-6-5-9-15(16)13-19(18)11-7-4-8-12-19/h5-6,9-10H,1,4,7-8,11-13H2,2-3H3
InChIKeyJPRSBSUTQCPOME-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate (CID 58341747) is (1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)c2ccccc2CC12CCCCC2.
What is the InChIKey of (1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate?
The InChIKey is JPRSBSUTQCPOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-14(2)17(20)21-18(3)16-10-6-5-9-15(16)13-19(18)11-7-4-8-12-19/h5-6,9-10H,1,4,7-8,11-13H2,2-3H3.
What are the key properties of (1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate?
(1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylspiro[3H-indene-2,1'-cyclohexane]-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 58341747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).