1-methyl-3-(2-methylprop-1-enyl)cyclohexane

C11H20 — CID 90939751

IUPAC1-methyl-3-(2-methylprop-1-enyl)cyclohexane
SMILESCC(C)=CC1CCCC(C)C1
InChIInChI=1S/C11H20/c1-9(2)7-11-6-4-5-10(3)8-11/h7,10-11H,4-6,8H2,1-3H3
InChIKeyPRSMGDODYTYFLL-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds1

About 1-methyl-3-(2-methylprop-1-enyl)cyclohexane

1-methyl-3-(2-methylprop-1-enyl)cyclohexane (PubChem CID 90939751) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-methyl-3-(2-methylprop-1-enyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-3-(2-methylprop-1-enyl)cyclohexane
PubChem CID90939751
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-methyl-3-(2-methylprop-1-enyl)cyclohexane
SMILESCC(C)=CC1CCCC(C)C1
InChIInChI=1S/C11H20/c1-9(2)7-11-6-4-5-10(3)8-11/h7,10-11H,4-6,8H2,1-3H3
InChIKeyPRSMGDODYTYFLL-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-3-(3-methylcyclohexyl)prop-2-en-1-ol
CID 79335015
1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane
CID 142973794
N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine
CID 103093402
1-(3-chloro-2-cyclohexylprop-1-enyl)-3-methylcyclohexane
CID 115825407
2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine
CID 115825418
1-[(E)-2-bromoethenyl]-3-methylcyclohexane
CID 165470993
(1R)-1,3-dimethylcyclohexane
CID 12594306
ethane;(1R)-3-methylcyclohexan-1-ol
CID 145275507
CID 175388606
CID 175388606
3-methyl-2-[(3-methylcyclohexyl)methylidene]-N-propylbutan-1-amine
CID 113247518
isocyanic acid;3-methylcyclohexane-1-carbaldehyde
CID 174560821
methanamine;3-methylcyclohexan-1-ol
CID 174923816

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylprop-1-enyl)cyclohexane?
The IUPAC name of 1-methyl-3-(2-methylprop-1-enyl)cyclohexane (CID 90939751) is 1-methyl-3-(2-methylprop-1-enyl)cyclohexane.
What is the SMILES notation for 1-methyl-3-(2-methylprop-1-enyl)cyclohexane?
The canonical SMILES for 1-methyl-3-(2-methylprop-1-enyl)cyclohexane is CC(C)=CC1CCCC(C)C1.
What is the InChIKey of 1-methyl-3-(2-methylprop-1-enyl)cyclohexane?
The InChIKey is PRSMGDODYTYFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-9(2)7-11-6-4-5-10(3)8-11/h7,10-11H,4-6,8H2,1-3H3.
What are the key properties of 1-methyl-3-(2-methylprop-1-enyl)cyclohexane?
1-methyl-3-(2-methylprop-1-enyl)cyclohexane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylprop-1-enyl)cyclohexane is sourced from PubChem (CID 90939751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).