(1E)-1-butylidene-3-methylcyclohexane

C11H20 — CID 10606948

IUPAC(1E)-1-butylidene-3-methylcyclohexane
SMILESCCC/C=C1\CCCC(C)C1
InChIInChI=1S/C11H20/c1-3-4-7-11-8-5-6-10(2)9-11/h7,10H,3-6,8-9H2,1-2H3/b11-7+
InChIKeyJHFLAEFVJRKGEO-YRNVUSSQSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds2

About (1E)-1-butylidene-3-methylcyclohexane

(1E)-1-butylidene-3-methylcyclohexane (PubChem CID 10606948) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (1E)-1-butylidene-3-methylcyclohexane.

Molecular Properties

Compound Name(1E)-1-butylidene-3-methylcyclohexane
PubChem CID10606948
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(1E)-1-butylidene-3-methylcyclohexane
SMILESCCC/C=C1\CCCC(C)C1
InChIInChI=1S/C11H20/c1-3-4-7-11-8-5-6-10(2)9-11/h7,10H,3-6,8-9H2,1-2H3/b11-7+
InChIKeyJHFLAEFVJRKGEO-YRNVUSSQSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
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

(3E)-1-methyl-3-pentylidenecyclohexane
CID 6377600
(3-methylcyclohexylidene)methanamine
CID 67680642
(3Z)-1-methyl-3-propylidenecyclopentane
CID 144536317
1,4-di(butylidene)cyclohexane
CID 175542706
3-hexadecylidenecyclohexan-1-ol
CID 91228547
1-hept-6-enylidene-3-methylcyclopentane
CID 173177618
bis(but-2-ene);1-methyl-3-propylidenecyclopentane
CID 173439667
(2E)-2-(3-methylcyclohexylidene)acetic acid
CID 12956868
1-ethylidene-5-methylcyclooctane
CID 20872963
(1S,3E)-3-propylidenecyclohexan-1-ol
CID 88974984
4-butylidenepiperidine
CID 14966659
(1Z,2E)-1,2-di(butylidene)cyclopentane
CID 177483288

Frequently Asked Questions

What is the IUPAC name of (1E)-1-butylidene-3-methylcyclohexane?
The IUPAC name of (1E)-1-butylidene-3-methylcyclohexane (CID 10606948) is (1E)-1-butylidene-3-methylcyclohexane.
What is the SMILES notation for (1E)-1-butylidene-3-methylcyclohexane?
The canonical SMILES for (1E)-1-butylidene-3-methylcyclohexane is CCC/C=C1\CCCC(C)C1.
What is the InChIKey of (1E)-1-butylidene-3-methylcyclohexane?
The InChIKey is JHFLAEFVJRKGEO-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H20/c1-3-4-7-11-8-5-6-10(2)9-11/h7,10H,3-6,8-9H2,1-2H3/b11-7+.
What are the key properties of (1E)-1-butylidene-3-methylcyclohexane?
(1E)-1-butylidene-3-methylcyclohexane has a molecular weight of 152.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-butylidene-3-methylcyclohexane is sourced from PubChem (CID 10606948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).