[(3S)-4-methylpent-1-en-3-yl]cyclohexane

C12H22 — CID 12965777

IUPAC[(3S)-4-methylpent-1-en-3-yl]cyclohexane
SMILESC=C[C@H](C(C)C)C1CCCCC1
InChIInChI=1S/C12H22/c1-4-12(10(2)3)11-8-6-5-7-9-11/h4,10-12H,1,5-9H2,2-3H3/t12-/m1/s1
InChIKeyOJEQIBWMUIZEKZ-GFCCVEGCSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds3

About [(3S)-4-methylpent-1-en-3-yl]cyclohexane

[(3S)-4-methylpent-1-en-3-yl]cyclohexane (PubChem CID 12965777) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is [(3S)-4-methylpent-1-en-3-yl]cyclohexane.

Molecular Properties

Compound Name[(3S)-4-methylpent-1-en-3-yl]cyclohexane
PubChem CID12965777
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name[(3S)-4-methylpent-1-en-3-yl]cyclohexane
SMILESC=C[C@H](C(C)C)C1CCCCC1
InChIInChI=1S/C12H22/c1-4-12(10(2)3)11-8-6-5-7-9-11/h4,10-12H,1,5-9H2,2-3H3/t12-/m1/s1
InChIKeyOJEQIBWMUIZEKZ-GFCCVEGCSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-methylpent-1-en-3-yl]cyclohexane?
The IUPAC name of [(3S)-4-methylpent-1-en-3-yl]cyclohexane (CID 12965777) is [(3S)-4-methylpent-1-en-3-yl]cyclohexane.
What is the SMILES notation for [(3S)-4-methylpent-1-en-3-yl]cyclohexane?
The canonical SMILES for [(3S)-4-methylpent-1-en-3-yl]cyclohexane is C=C[C@H](C(C)C)C1CCCCC1.
What is the InChIKey of [(3S)-4-methylpent-1-en-3-yl]cyclohexane?
The InChIKey is OJEQIBWMUIZEKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22/c1-4-12(10(2)3)11-8-6-5-7-9-11/h4,10-12H,1,5-9H2,2-3H3/t12-/m1/s1.
What are the key properties of [(3S)-4-methylpent-1-en-3-yl]cyclohexane?
[(3S)-4-methylpent-1-en-3-yl]cyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-methylpent-1-en-3-yl]cyclohexane is sourced from PubChem (CID 12965777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).