(4S)-1-methyl-4-propan-2-ylcyclohexene

C10H18 — CID 11815433

IUPAC(4S)-1-methyl-4-propan-2-ylcyclohexene
SMILESCC1=CC[C@@H](C(C)C)CC1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3/t10-/m1/s1
InChIKeyFAMJUFMHYAFYNU-SNVBAGLBSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds1

About (4S)-1-methyl-4-propan-2-ylcyclohexene

(4S)-1-methyl-4-propan-2-ylcyclohexene (PubChem CID 11815433) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (4S)-1-methyl-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(4S)-1-methyl-4-propan-2-ylcyclohexene
PubChem CID11815433
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(4S)-1-methyl-4-propan-2-ylcyclohexene
SMILESCC1=CC[C@@H](C(C)C)CC1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3/t10-/m1/s1
InChIKeyFAMJUFMHYAFYNU-SNVBAGLBSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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 (4S)-1-methyl-4-propan-2-ylcyclohexene?
The IUPAC name of (4S)-1-methyl-4-propan-2-ylcyclohexene (CID 11815433) is (4S)-1-methyl-4-propan-2-ylcyclohexene.
What is the SMILES notation for (4S)-1-methyl-4-propan-2-ylcyclohexene?
The canonical SMILES for (4S)-1-methyl-4-propan-2-ylcyclohexene is CC1=CC[C@@H](C(C)C)CC1.
What is the InChIKey of (4S)-1-methyl-4-propan-2-ylcyclohexene?
The InChIKey is FAMJUFMHYAFYNU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3/t10-/m1/s1.
What are the key properties of (4S)-1-methyl-4-propan-2-ylcyclohexene?
(4S)-1-methyl-4-propan-2-ylcyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-propan-2-ylcyclohexene is sourced from PubChem (CID 11815433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).