1-methyl-4-propan-2-ylcyclohexene

C10H17+ — CID 86582996

IUPAC1-methyl-4-propan-2-ylcyclohexene
SMILESCC1=CC[C+](C(C)C)CC1
InChIInChI=1S/C10H17/c1-8(2)10-6-4-9(3)5-7-10/h4,8H,5-7H2,1-3H3/q+1
InChIKeyCKUSTWLYTVJRQO-UHFFFAOYSA-N
MW137.25 g/mol
LogP3.35
Rot. Bonds1

About 1-methyl-4-propan-2-ylcyclohexene

1-methyl-4-propan-2-ylcyclohexene (PubChem CID 86582996) has the molecular formula C10H17+ and a molecular weight of 137.25 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylcyclohexene
PubChem CID86582996
Molecular FormulaC10H17+
Molecular Weight137.25 g/mol
Exact Mass137.13
IUPAC Name1-methyl-4-propan-2-ylcyclohexene
SMILESCC1=CC[C+](C(C)C)CC1
InChIInChI=1S/C10H17/c1-8(2)10-6-4-9(3)5-7-10/h4,8H,5-7H2,1-3H3/q+1
InChIKeyCKUSTWLYTVJRQO-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(+-)-alpha-Pinene
CID 6654
1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
alpha-Pinene, (+)-
CID 82227
Limonene, (-)-
CID 439250
(-)-alpha-Pinene
CID 440968
3-Carene
CID 26049
Gamma-Terpinene
CID 7461
Alpha-Terpinene
CID 7462
Beta-Phellandrene
CID 11142
(+)-3-Carene
CID 443156
beta-Cadinene
CID 10657

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylcyclohexene?
The IUPAC name of 1-methyl-4-propan-2-ylcyclohexene (CID 86582996) is 1-methyl-4-propan-2-ylcyclohexene.
What is the SMILES notation for 1-methyl-4-propan-2-ylcyclohexene?
The canonical SMILES for 1-methyl-4-propan-2-ylcyclohexene is CC1=CC[C+](C(C)C)CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylcyclohexene?
The InChIKey is CKUSTWLYTVJRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17/c1-8(2)10-6-4-9(3)5-7-10/h4,8H,5-7H2,1-3H3/q+1.
What are the key properties of 1-methyl-4-propan-2-ylcyclohexene?
1-methyl-4-propan-2-ylcyclohexene has a molecular weight of 137.25 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylcyclohexene is sourced from PubChem (CID 86582996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).