(3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane

Name: (3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₄ — CID 158976474

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

IUPAC(3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane

SMILESC1=C(C2CCCC2)C=C(C2CCCCC2)C1

InChIInChI=1S/C16H24/c1-2-6-13(7-3-1)15-10-11-16(12-15)14-8-4-5-9-14/h11-14H,1-10H2

InChIKeyJVDLQVZEMVNKRO-UHFFFAOYSA-N

MW216.37 g/mol

LogP5.01

Rot. Bonds2

About (3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane

(3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane (PubChem CID 158976474) has the molecular formula C₁₆H₂₄ and a molecular weight of 216.37 g/mol. Its IUPAC name is (3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane.

Molecular Properties

Compound Name	(3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane
PubChem CID	158976474
Molecular Formula	C₁₆H₂₄
Molecular Weight	216.37 g/mol
Exact Mass	216.19
IUPAC Name	(3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane
SMILES	C1=C(C2CCCC2)C=C(C2CCCCC2)C1
InChI	InChI=1S/C16H24/c1-2-6-13(7-3-1)15-10-11-16(12-15)14-8-4-5-9-14/h11-14H,1-10H2
InChIKey	JVDLQVZEMVNKRO-UHFFFAOYSA-N
XLogP	5.01
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	2
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	216.37
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane?

The IUPAC name of (3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane (CID 158976474) is (3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane.

What is the SMILES notation for (3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane?

The canonical SMILES for (3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane is C1=C(C2CCCC2)C=C(C2CCCCC2)C1.

What is the InChIKey of (3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane?

The InChIKey is JVDLQVZEMVNKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-2-6-13(7-3-1)15-10-11-16(12-15)14-8-4-5-9-14/h11-14H,1-10H2.

What are the key properties of (3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane?

(3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane has a molecular weight of 216.37 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane is sourced from PubChem (CID 158976474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 158976474 — identifiers, structure, computed properties (public domain)

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