5-methylhexan-3-ylcyclohexane;prop-1-ene

C16H32 — CID 143963262

IUPAC5-methylhexan-3-ylcyclohexane;prop-1-ene
SMILESC=CC.CCC(CC(C)C)C1CCCCC1
InChIInChI=1S/C13H26.C3H6/c1-4-12(10-11(2)3)13-8-6-5-7-9-13;1-3-2/h11-13H,4-10H2,1-3H3;3H,1H2,2H3
InChIKeyXPBCXEPYPDAMPL-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.83
Rot. Bonds4

About 5-methylhexan-3-ylcyclohexane;prop-1-ene

5-methylhexan-3-ylcyclohexane;prop-1-ene (PubChem CID 143963262) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 5-methylhexan-3-ylcyclohexane;prop-1-ene.

Molecular Properties

Compound Name5-methylhexan-3-ylcyclohexane;prop-1-ene
PubChem CID143963262
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name5-methylhexan-3-ylcyclohexane;prop-1-ene
SMILESC=CC.CCC(CC(C)C)C1CCCCC1
InChIInChI=1S/C13H26.C3H6/c1-4-12(10-11(2)3)13-8-6-5-7-9-13;1-3-2/h11-13H,4-10H2,1-3H3;3H,1H2,2H3
InChIKeyXPBCXEPYPDAMPL-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.83
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

2,6,10,14-Tetramethyl-7-(3-methyl-pent-4-enyl)-pentadecane
CID 42608273
4-Methylpent-1-en-3-ylcyclohexane
CID 15527856
Hept-1-en-3-ylcyclohexane
CID 14566870
[(2R)-but-3-en-2-yl]cyclohexane
CID 11007980
[(2S)-but-3-en-2-yl]cyclohexane
CID 11815435
(1-Methyl-2-propen-1-yl)cyclohexane
CID 15610258
Pent-1-en-3-ylcyclohexane
CID 15680445
[(3S)-pent-1-en-3-yl]cyclohexane
CID 101730343
[(3S)-hept-1-en-3-yl]cyclohexane
CID 10997647
[(3S)-4-methylpent-1-en-3-yl]cyclohexane
CID 12965777
[(3R)-hept-1-en-3-yl]cyclohexane
CID 14566871
Threo-11,12-bis(deuteromethyl)docosa-1,21-diene
CID 129741030

Frequently Asked Questions

What is the IUPAC name of 5-methylhexan-3-ylcyclohexane;prop-1-ene?
The IUPAC name of 5-methylhexan-3-ylcyclohexane;prop-1-ene (CID 143963262) is 5-methylhexan-3-ylcyclohexane;prop-1-ene.
What is the SMILES notation for 5-methylhexan-3-ylcyclohexane;prop-1-ene?
The canonical SMILES for 5-methylhexan-3-ylcyclohexane;prop-1-ene is C=CC.CCC(CC(C)C)C1CCCCC1.
What is the InChIKey of 5-methylhexan-3-ylcyclohexane;prop-1-ene?
The InChIKey is XPBCXEPYPDAMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.C3H6/c1-4-12(10-11(2)3)13-8-6-5-7-9-13;1-3-2/h11-13H,4-10H2,1-3H3;3H,1H2,2H3.
What are the key properties of 5-methylhexan-3-ylcyclohexane;prop-1-ene?
5-methylhexan-3-ylcyclohexane;prop-1-ene has a molecular weight of 224.43 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexan-3-ylcyclohexane;prop-1-ene is sourced from PubChem (CID 143963262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).