1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane

C13H22 — CID 142096766

IUPAC1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane
SMILESC=C=C(C)CCC1(C)CCCCC1
InChIInChI=1S/C13H22/c1-4-12(2)8-11-13(3)9-6-5-7-10-13/h1,5-11H2,2-3H3
InChIKeyIYAKOSWHVQOWRO-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.47
Rot. Bonds3

About 1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane

1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane (PubChem CID 142096766) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane
PubChem CID142096766
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane
SMILESC=C=C(C)CCC1(C)CCCCC1
InChIInChI=1S/C13H22/c1-4-12(2)8-11-13(3)9-6-5-7-10-13/h1,5-11H2,2-3H3
InChIKeyIYAKOSWHVQOWRO-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane
CID 11016015
4-methyl-1-(1-methylcyclohexyl)pentan-3-one
CID 22217356
3-(1-methylcyclopentyl)propanoyl iodide
CID 134485203
6-(1-methylcyclohexyl)hexanamide
CID 154219195
1-methyl-1-undecylcyclohexane
CID 86137257
(1-methylcyclododecyl)methanol
CID 70130772
2-(1-methylcyclohexyl)ethyl acetate
CID 70251628
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
3-(1-methylcyclohexyl)-1-phenylpropan-1-one
CID 164668624
butane;3-methylhexa-1,2-diene
CID 145158115
1-methyl-1-(3-methylsulfanylpropyl)cyclopentane
CID 22095061
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane?
The IUPAC name of 1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane (CID 142096766) is 1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane.
What is the SMILES notation for 1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane?
The canonical SMILES for 1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane is C=C=C(C)CCC1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane?
The InChIKey is IYAKOSWHVQOWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-4-12(2)8-11-13(3)9-6-5-7-10-13/h1,5-11H2,2-3H3.
What are the key properties of 1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane?
1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane has a molecular weight of 178.32 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane is sourced from PubChem (CID 142096766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).