Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate

Name: Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₄O₄ — CID 585874

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACdimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate

SMILESC=C(C)C1CCC(C)CC1C(C(=O)OC)C(=O)OC

InChIInChI=1S/C15H24O4/c1-9(2)11-7-6-10(3)8-12(11)13(14(16)18-4)15(17)19-5/h10-13H,1,6-8H2,2-5H3

InChIKeyAHQWKJDVRCSTTJ-UHFFFAOYSA-N

MW268.35 g/mol

LogP2.58

Rot. Bonds4

About Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate

Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate (PubChem CID 585874) has the molecular formula C₁₅H₂₄O₄ and a molecular weight of 268.35 g/mol. Its IUPAC name is dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate.

Molecular Properties

Compound Name	Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate
PubChem CID	585874
Molecular Formula	C₁₅H₂₄O₄
Molecular Weight	268.35 g/mol
Exact Mass	268.17
IUPAC Name	dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate
SMILES	C=C(C)C1CCC(C)CC1C(C(=O)OC)C(=O)OC
InChI	InChI=1S/C15H24O4/c1-9(2)11-7-6-10(3)8-12(11)13(14(16)18-4)15(17)19-5/h10-13H,1,6-8H2,2-5H3
InChIKey	AHQWKJDVRCSTTJ-UHFFFAOYSA-N
XLogP	2.58
TPSA	52.60 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.35
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate?

The IUPAC name of Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate (CID 585874) is dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate.

What is the SMILES notation for Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate?

The canonical SMILES for Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate is C=C(C)C1CCC(C)CC1C(C(=O)OC)C(=O)OC.

What is the InChIKey of Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate?

The InChIKey is AHQWKJDVRCSTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-9(2)11-7-6-10(3)8-12(11)13(14(16)18-4)15(17)19-5/h10-13H,1,6-8H2,2-5H3.

What are the key properties of Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate?

Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate has a molecular weight of 268.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Dimethyl 2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)propanedioate is sourced from PubChem (CID 585874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 585874 — identifiers, structure, computed properties (public domain)

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