1-methyl-3-propan-2-ylcyclohexene

C10H18 — CID 565688

IUPAC1-methyl-3-propan-2-ylcyclohexene
SMILESCC1=CC(C(C)C)CCC1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h7-8,10H,4-6H2,1-3H3
InChIKeyMLMLOMRVLOMMDG-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds1

About 1-methyl-3-propan-2-ylcyclohexene

1-methyl-3-propan-2-ylcyclohexene (PubChem CID 565688) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylcyclohexene.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylcyclohexene
PubChem CID565688
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-methyl-3-propan-2-ylcyclohexene
SMILESCC1=CC(C(C)C)CCC1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h7-8,10H,4-6H2,1-3H3
InChIKeyMLMLOMRVLOMMDG-UHFFFAOYSA-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 1-methyl-3-propan-2-ylcyclohexene?
The IUPAC name of 1-methyl-3-propan-2-ylcyclohexene (CID 565688) is 1-methyl-3-propan-2-ylcyclohexene.
What is the SMILES notation for 1-methyl-3-propan-2-ylcyclohexene?
The canonical SMILES for 1-methyl-3-propan-2-ylcyclohexene is CC1=CC(C(C)C)CCC1.
What is the InChIKey of 1-methyl-3-propan-2-ylcyclohexene?
The InChIKey is MLMLOMRVLOMMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)10-6-4-5-9(3)7-10/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylcyclohexene?
1-methyl-3-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 1-methyl-3-propan-2-ylcyclohexene is sourced from PubChem (CID 565688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).