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

C16H24 — CID 158976474

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 CID158976474
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(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
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene
CID 159952981
(1Z)-bicyclo[6.1.0]non-1-ene
CID 5367451
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
1,2,3,3a,4,5-hexahydropentalene
CID 13058233
4-cyclohexyl-1,2,3,6-tetrahydropyridine
CID 83682461
1-cyclobutylcyclobutene
CID 556361
(1Z,3Z,5Z)-3,5-dicyclohexyl-2-(methylsulfanylmethyl)cyclododeca-1,3,5-triene
CID 145222882
3-cycloheptylcyclopent-2-en-1-amine
CID 82925386
5-cyclohexyl-1,2-dihydropyridazin-3-amine
CID 118519394
3-cyclohexylcyclohex-2-en-1-amine
CID 65171950
3-chloro-1-cyclohexylcyclohexene
CID 65177444

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).