1-methyl-2-(2-methylbut-1-enylidene)cyclohexane

C12H20 — CID 161483279

IUPAC1-methyl-2-(2-methylbut-1-enylidene)cyclohexane
SMILESCCC(C)=C=C1CCCCC1C
InChIInChI=1S/C12H20/c1-4-10(2)9-12-8-6-5-7-11(12)3/h11H,4-8H2,1-3H3
InChIKeyWEQKMWAUBNZGRV-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.08
Rot. Bonds1

About 1-methyl-2-(2-methylbut-1-enylidene)cyclohexane

1-methyl-2-(2-methylbut-1-enylidene)cyclohexane (PubChem CID 161483279) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-methyl-2-(2-methylbut-1-enylidene)cyclohexane.

Molecular Properties

Compound Name1-methyl-2-(2-methylbut-1-enylidene)cyclohexane
PubChem CID161483279
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-methyl-2-(2-methylbut-1-enylidene)cyclohexane
SMILESCCC(C)=C=C1CCCCC1C
InChIInChI=1S/C12H20/c1-4-10(2)9-12-8-6-5-7-11(12)3/h11H,4-8H2,1-3H3
InChIKeyWEQKMWAUBNZGRV-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylbut-1-enylidene)cyclohexane?
The IUPAC name of 1-methyl-2-(2-methylbut-1-enylidene)cyclohexane (CID 161483279) is 1-methyl-2-(2-methylbut-1-enylidene)cyclohexane.
What is the SMILES notation for 1-methyl-2-(2-methylbut-1-enylidene)cyclohexane?
The canonical SMILES for 1-methyl-2-(2-methylbut-1-enylidene)cyclohexane is CCC(C)=C=C1CCCCC1C.
What is the InChIKey of 1-methyl-2-(2-methylbut-1-enylidene)cyclohexane?
The InChIKey is WEQKMWAUBNZGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-10(2)9-12-8-6-5-7-11(12)3/h11H,4-8H2,1-3H3.
What are the key properties of 1-methyl-2-(2-methylbut-1-enylidene)cyclohexane?
1-methyl-2-(2-methylbut-1-enylidene)cyclohexane has a molecular weight of 164.29 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylbut-1-enylidene)cyclohexane is sourced from PubChem (CID 161483279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).