(3R,6R)-3-butyl-6-propan-2-ylcyclohexene

C13H24 — CID 134980760

IUPAC(3R,6R)-3-butyl-6-propan-2-ylcyclohexene
SMILESCCCC[C@H]1C=C[C@@H](C(C)C)CC1
InChIInChI=1S/C13H24/c1-4-5-6-12-7-9-13(10-8-12)11(2)3/h7,9,11-13H,4-6,8,10H2,1-3H3/t12-,13+/m0/s1
InChIKeyCPOVATCHIWUIKY-QWHCGFSZSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds4

About (3R,6R)-3-butyl-6-propan-2-ylcyclohexene

(3R,6R)-3-butyl-6-propan-2-ylcyclohexene (PubChem CID 134980760) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3R,6R)-3-butyl-6-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(3R,6R)-3-butyl-6-propan-2-ylcyclohexene
PubChem CID134980760
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3R,6R)-3-butyl-6-propan-2-ylcyclohexene
SMILESCCCC[C@H]1C=C[C@@H](C(C)C)CC1
InChIInChI=1S/C13H24/c1-4-5-6-12-7-9-13(10-8-12)11(2)3/h7,9,11-13H,4-6,8,10H2,1-3H3/t12-,13+/m0/s1
InChIKeyCPOVATCHIWUIKY-QWHCGFSZSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methylhexan-2-yl)-6-propylcyclohexene
CID 123606448
4-butylcyclopent-2-en-1-ol
CID 13414982
(3S)-3-nonylcyclopentene
CID 90814175
3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene
CID 123149803
(3R)-3-hexylcyclohexene
CID 144775192
3-decylcyclobutene
CID 174421846
3-[(1S,4S)-4-methylcyclohex-2-en-1-yl]propan-1-ol
CID 134991836
3,6-dibutylcyclohexa-1,4-diene
CID 90992302
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
(1S,4S)-4-propylcyclohex-2-ene-1-carboxylic acid
CID 71352376
1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123902166
5-butylcyclohex-3-ene-1,2-dicarboxylic acid
CID 23284162

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-butyl-6-propan-2-ylcyclohexene?
The IUPAC name of (3R,6R)-3-butyl-6-propan-2-ylcyclohexene (CID 134980760) is (3R,6R)-3-butyl-6-propan-2-ylcyclohexene.
What is the SMILES notation for (3R,6R)-3-butyl-6-propan-2-ylcyclohexene?
The canonical SMILES for (3R,6R)-3-butyl-6-propan-2-ylcyclohexene is CCCC[C@H]1C=C[C@@H](C(C)C)CC1.
What is the InChIKey of (3R,6R)-3-butyl-6-propan-2-ylcyclohexene?
The InChIKey is CPOVATCHIWUIKY-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H24/c1-4-5-6-12-7-9-13(10-8-12)11(2)3/h7,9,11-13H,4-6,8,10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (3R,6R)-3-butyl-6-propan-2-ylcyclohexene?
(3R,6R)-3-butyl-6-propan-2-ylcyclohexene has a molecular weight of 180.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-butyl-6-propan-2-ylcyclohexene is sourced from PubChem (CID 134980760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).