pentylidenecyclohexane

C11H20 — CID 549158

IUPACpentylidenecyclohexane
SMILESCCCCC=C1CCCCC1
InChIInChI=1S/C11H20/c1-2-3-5-8-11-9-6-4-7-10-11/h8H,2-7,9-10H2,1H3
InChIKeyDOVNMMSNHCGVGX-UHFFFAOYSA-N
MW152.28 g/mol
LogP4.07
Rot. Bonds3

About pentylidenecyclohexane

pentylidenecyclohexane (PubChem CID 549158) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is pentylidenecyclohexane.

Molecular Properties

Compound Namepentylidenecyclohexane
PubChem CID549158
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Namepentylidenecyclohexane
SMILESCCCCC=C1CCCCC1
InChIInChI=1S/C11H20/c1-2-3-5-8-11-9-6-4-7-10-11/h8H,2-7,9-10H2,1H3
InChIKeyDOVNMMSNHCGVGX-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze pentylidenecyclohexane with MolForge

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

Launch Full Analysis

Related Compounds

Terpinolene
CID 11463
1-Methylcyclohexene
CID 11574
Germacrene B
CID 5281519
1-Ethylcyclohexene
CID 73937
gamma-Bisabolene
CID 62346
Geraniolene
CID 81203
gamma-BISABOLENE, (E)-
CID 5352437
4-Propyl-3-heptene
CID 138270
7-Methyl-1,6-octadiene
CID 557579
gamma-Bisabolene, (Z)-
CID 3033866
1,5-Cyclooctadiene, 1,5-dimethyl-
CID 5365758
(1Z,4Z)-germacrene B
CID 6370843

Frequently Asked Questions

What is the IUPAC name of pentylidenecyclohexane?
The IUPAC name of pentylidenecyclohexane (CID 549158) is pentylidenecyclohexane.
What is the SMILES notation for pentylidenecyclohexane?
The canonical SMILES for pentylidenecyclohexane is CCCCC=C1CCCCC1.
What is the InChIKey of pentylidenecyclohexane?
The InChIKey is DOVNMMSNHCGVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-2-3-5-8-11-9-6-4-7-10-11/h8H,2-7,9-10H2,1H3.
What are the key properties of pentylidenecyclohexane?
pentylidenecyclohexane has a molecular weight of 152.28 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentylidenecyclohexane is sourced from PubChem (CID 549158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).