(3R)-3-hexylcyclohexene

C12H22 — CID 144775192

IUPAC(3R)-3-hexylcyclohexene
SMILESCCCCCC[C@H]1C=CCCC1
InChIInChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h7,10,12H,2-6,8-9,11H2,1H3/t12-/m0/s1
InChIKeyOQKLIIQHYMWPMF-LBPRGKRZSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds5

About (3R)-3-hexylcyclohexene

(3R)-3-hexylcyclohexene (PubChem CID 144775192) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (3R)-3-hexylcyclohexene.

Molecular Properties

Compound Name(3R)-3-hexylcyclohexene
PubChem CID144775192
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(3R)-3-hexylcyclohexene
SMILESCCCCCC[C@H]1C=CCCC1
InChIInChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h7,10,12H,2-6,8-9,11H2,1H3/t12-/m0/s1
InChIKeyOQKLIIQHYMWPMF-LBPRGKRZSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.31
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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Related Compounds

(3S)-3-nonylcyclopentene
CID 90814175
3-(butoxymethyl)cyclohexene
CID 143541702
3-decylcyclobutene
CID 174421846
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene
CID 134966711
4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide
CID 143238683
6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate
CID 70552607
(1E)-3-[(4R)-4-hexylcycloheptyl]cyclooctene
CID 144601033
3-(4,5-dimethylhex-5-enyl)cyclohexene
CID 142893691
(3S)-3-(7-methoxyheptyl)cyclopentene
CID 57194147
1,2-diheptylcyclopentane
CID 102061720
1-octyl-2-pentylcyclopentane
CID 170668279
1-heptyl-2-pentylcyclopentane
CID 102061725

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hexylcyclohexene?
The IUPAC name of (3R)-3-hexylcyclohexene (CID 144775192) is (3R)-3-hexylcyclohexene.
What is the SMILES notation for (3R)-3-hexylcyclohexene?
The canonical SMILES for (3R)-3-hexylcyclohexene is CCCCCC[C@H]1C=CCCC1.
What is the InChIKey of (3R)-3-hexylcyclohexene?
The InChIKey is OQKLIIQHYMWPMF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h7,10,12H,2-6,8-9,11H2,1H3/t12-/m0/s1.
What are the key properties of (3R)-3-hexylcyclohexene?
(3R)-3-hexylcyclohexene has a molecular weight of 166.31 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hexylcyclohexene is sourced from PubChem (CID 144775192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).