1-methyl-1-prop-1-en-2-ylcyclohexane

C10H18 — CID 14685113

IUPAC1-methyl-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1(C)CCCCC1
InChIInChI=1S/C10H18/c1-9(2)10(3)7-5-4-6-8-10/h1,4-8H2,2-3H3
InChIKeyGRWRWBPVDAEEOO-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds1

About 1-methyl-1-prop-1-en-2-ylcyclohexane

1-methyl-1-prop-1-en-2-ylcyclohexane (PubChem CID 14685113) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-methyl-1-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1-methyl-1-prop-1-en-2-ylcyclohexane
PubChem CID14685113
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-methyl-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1(C)CCCCC1
InChIInChI=1S/C10H18/c1-9(2)10(3)7-5-4-6-8-10/h1,4-8H2,2-3H3
InChIKeyGRWRWBPVDAEEOO-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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-1-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1-methyl-1-prop-1-en-2-ylcyclohexane (CID 14685113) is 1-methyl-1-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1-methyl-1-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1-methyl-1-prop-1-en-2-ylcyclohexane is C=C(C)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-prop-1-en-2-ylcyclohexane?
The InChIKey is GRWRWBPVDAEEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-9(2)10(3)7-5-4-6-8-10/h1,4-8H2,2-3H3.
What are the key properties of 1-methyl-1-prop-1-en-2-ylcyclohexane?
1-methyl-1-prop-1-en-2-ylcyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 14685113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).