3-(5-methylhexan-2-yl)-6-propylcyclohexene

C16H30 — CID 123606448

IUPAC3-(5-methylhexan-2-yl)-6-propylcyclohexene
SMILESCCCC1C=CC(C(C)CCC(C)C)CC1
InChIInChI=1S/C16H30/c1-5-6-15-9-11-16(12-10-15)14(4)8-7-13(2)3/h9,11,13-16H,5-8,10,12H2,1-4H3
InChIKeyOHMYTEPOXCPSNR-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.44
Rot. Bonds6

About 3-(5-methylhexan-2-yl)-6-propylcyclohexene

3-(5-methylhexan-2-yl)-6-propylcyclohexene (PubChem CID 123606448) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 3-(5-methylhexan-2-yl)-6-propylcyclohexene.

Molecular Properties

Compound Name3-(5-methylhexan-2-yl)-6-propylcyclohexene
PubChem CID123606448
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name3-(5-methylhexan-2-yl)-6-propylcyclohexene
SMILESCCCC1C=CC(C(C)CCC(C)C)CC1
InChIInChI=1S/C16H30/c1-5-6-15-9-11-16(12-10-15)14(4)8-7-13(2)3/h9,11,13-16H,5-8,10,12H2,1-4H3
InChIKeyOHMYTEPOXCPSNR-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.44
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

(3R,6R)-3-butyl-6-propan-2-ylcyclohexene
CID 134980760
3-methyl-6-(5-methyloctan-2-yl)cyclohexene
CID 123615125
3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene
CID 123149803
(1S,4S)-4-propylcyclohex-2-ene-1-carboxylic acid
CID 71352376
1-ethyl-3-(5-methylhexan-2-yl)cyclopentane
CID 123613674
ethane;1-fluoro-3-(4-methylpentyl)cyclohexene;propane
CID 145066156
N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine
CID 146383066
4-methylpentylcyclopentane
CID 523530
3-ethyl-6-iodocyclohexene
CID 143978325
(1Z,3Z)-5-propylcyclodeca-1,3-diene
CID 142896821
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
3-ethenyl-5-propylcyclopentene
CID 146962061

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexan-2-yl)-6-propylcyclohexene?
The IUPAC name of 3-(5-methylhexan-2-yl)-6-propylcyclohexene (CID 123606448) is 3-(5-methylhexan-2-yl)-6-propylcyclohexene.
What is the SMILES notation for 3-(5-methylhexan-2-yl)-6-propylcyclohexene?
The canonical SMILES for 3-(5-methylhexan-2-yl)-6-propylcyclohexene is CCCC1C=CC(C(C)CCC(C)C)CC1.
What is the InChIKey of 3-(5-methylhexan-2-yl)-6-propylcyclohexene?
The InChIKey is OHMYTEPOXCPSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-5-6-15-9-11-16(12-10-15)14(4)8-7-13(2)3/h9,11,13-16H,5-8,10,12H2,1-4H3.
What are the key properties of 3-(5-methylhexan-2-yl)-6-propylcyclohexene?
3-(5-methylhexan-2-yl)-6-propylcyclohexene has a molecular weight of 222.42 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexan-2-yl)-6-propylcyclohexene is sourced from PubChem (CID 123606448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).