2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene

C17H24 — CID 174774005

IUPAC2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene
SMILESCCCCCC1CCC(c2ccc3cc2-3)CC1
InChIInChI=1S/C17H24/c1-2-3-4-5-13-6-8-14(9-7-13)16-11-10-15-12-17(15)16/h10-14H,2-9H2,1H3
InChIKeyCVHVTIUVTWJOHB-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.52
Rot. Bonds5

About 2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene

2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene (PubChem CID 174774005) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene.

Molecular Properties

Compound Name2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene
PubChem CID174774005
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene
SMILESCCCCCC1CCC(c2ccc3cc2-3)CC1
InChIInChI=1S/C17H24/c1-2-3-4-5-13-6-8-14(9-7-13)16-11-10-15-12-17(15)16/h10-14H,2-9H2,1H3
InChIKeyCVHVTIUVTWJOHB-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylcyclohexyl)-4-methoxy-2-[5-methoxy-2-(4-pentylcyclohexyl)phenyl]benzene
CID 137402862
1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene
CID 154421706
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 19008131
1-ethyl-3-[2-[3-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 173257088
2-[3-cyclohexyl-4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 67590527
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065275
2-methyl-4-nonyl-1-(4-nonylcyclohexyl)benzene
CID 19008146
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858890

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene?
The IUPAC name of 2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene (CID 174774005) is 2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene.
What is the SMILES notation for 2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene?
The canonical SMILES for 2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene is CCCCCC1CCC(c2ccc3cc2-3)CC1.
What is the InChIKey of 2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene?
The InChIKey is CVHVTIUVTWJOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-2-3-4-5-13-6-8-14(9-7-13)16-11-10-15-12-17(15)16/h10-14H,2-9H2,1H3.
What are the key properties of 2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene?
2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene has a molecular weight of 228.38 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene is sourced from PubChem (CID 174774005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).