(3-hexylcyclohex-2-en-1-yl)benzene

C18H26 — CID 100958783

IUPAC(3-hexylcyclohex-2-en-1-yl)benzene
SMILESCCCCCCC1=CC(c2ccccc2)CCC1
InChIInChI=1S/C18H26/c1-2-3-4-6-10-16-11-9-14-18(15-16)17-12-7-5-8-13-17/h5,7-8,12-13,15,18H,2-4,6,9-11,14H2,1H3
InChIKeyNIRQEVWGDSECHG-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.85
Rot. Bonds6

About (3-hexylcyclohex-2-en-1-yl)benzene

(3-hexylcyclohex-2-en-1-yl)benzene (PubChem CID 100958783) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is (3-hexylcyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name(3-hexylcyclohex-2-en-1-yl)benzene
PubChem CID100958783
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name(3-hexylcyclohex-2-en-1-yl)benzene
SMILESCCCCCCC1=CC(c2ccccc2)CCC1
InChIInChI=1S/C18H26/c1-2-3-4-6-10-16-11-9-14-18(15-16)17-12-7-5-8-13-17/h5,7-8,12-13,15,18H,2-4,6,9-11,14H2,1H3
InChIKeyNIRQEVWGDSECHG-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.85
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'}

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Frequently Asked Questions

What is the IUPAC name of (3-hexylcyclohex-2-en-1-yl)benzene?
The IUPAC name of (3-hexylcyclohex-2-en-1-yl)benzene (CID 100958783) is (3-hexylcyclohex-2-en-1-yl)benzene.
What is the SMILES notation for (3-hexylcyclohex-2-en-1-yl)benzene?
The canonical SMILES for (3-hexylcyclohex-2-en-1-yl)benzene is CCCCCCC1=CC(c2ccccc2)CCC1.
What is the InChIKey of (3-hexylcyclohex-2-en-1-yl)benzene?
The InChIKey is NIRQEVWGDSECHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-2-3-4-6-10-16-11-9-14-18(15-16)17-12-7-5-8-13-17/h5,7-8,12-13,15,18H,2-4,6,9-11,14H2,1H3.
What are the key properties of (3-hexylcyclohex-2-en-1-yl)benzene?
(3-hexylcyclohex-2-en-1-yl)benzene has a molecular weight of 242.41 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexylcyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 100958783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).