[(E)-4,4-dimethylpent-2-enyl]cyclohexane

C13H24 — CID 158566714

IUPAC[(E)-4,4-dimethylpent-2-enyl]cyclohexane
SMILESCC(C)(C)/C=C/CC1CCCCC1
InChIInChI=1S/C13H24/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h7,11-12H,4-6,8-10H2,1-3H3/b11-7+
InChIKeyHBAITPUBWSBOQD-YRNVUSSQSA-N
MW180.34 g/mol
LogP4.56
Rot. Bonds2

About [(E)-4,4-dimethylpent-2-enyl]cyclohexane

[(E)-4,4-dimethylpent-2-enyl]cyclohexane (PubChem CID 158566714) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is [(E)-4,4-dimethylpent-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-4,4-dimethylpent-2-enyl]cyclohexane
PubChem CID158566714
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name[(E)-4,4-dimethylpent-2-enyl]cyclohexane
SMILESCC(C)(C)/C=C/CC1CCCCC1
InChIInChI=1S/C13H24/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h7,11-12H,4-6,8-10H2,1-3H3/b11-7+
InChIKeyHBAITPUBWSBOQD-YRNVUSSQSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.56
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

[(E)-4,4-dimethylpent-2-enyl]cyclopentane
CID 158566711
[(Z)-pent-2-enyl]cyclohexane
CID 142389196
[(E)-3-cyclohexylprop-1-enyl]boronic acid
CID 6031959
4-cyclohexylbut-2-en-1-amine;hydrochloride
CID 67913983
4-(4-cyclododecylbut-2-enoxy)but-2-enylcyclododecane
CID 70544081
5,6-dimethylhept-2-enylcyclohexane
CID 57295731
N-[(Z)-3-cyclohexylprop-1-enyl]methanimine
CID 155471203
1,4-bis(prop-2-enyl)cyclooctane
CID 175303575
3-methylbut-2-enylcyclohexane
CID 57116063
(E)-4-cyclohexyl-N-methylbut-2-enamide
CID 162387728
(NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide
CID 11413565
(E)-6-cycloheptyl-2-propan-2-ylhex-4-enoic acid
CID 19868255

Frequently Asked Questions

What is the IUPAC name of [(E)-4,4-dimethylpent-2-enyl]cyclohexane?
The IUPAC name of [(E)-4,4-dimethylpent-2-enyl]cyclohexane (CID 158566714) is [(E)-4,4-dimethylpent-2-enyl]cyclohexane.
What is the SMILES notation for [(E)-4,4-dimethylpent-2-enyl]cyclohexane?
The canonical SMILES for [(E)-4,4-dimethylpent-2-enyl]cyclohexane is CC(C)(C)/C=C/CC1CCCCC1.
What is the InChIKey of [(E)-4,4-dimethylpent-2-enyl]cyclohexane?
The InChIKey is HBAITPUBWSBOQD-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H24/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h7,11-12H,4-6,8-10H2,1-3H3/b11-7+.
What are the key properties of [(E)-4,4-dimethylpent-2-enyl]cyclohexane?
[(E)-4,4-dimethylpent-2-enyl]cyclohexane has a molecular weight of 180.34 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,4-dimethylpent-2-enyl]cyclohexane is sourced from PubChem (CID 158566714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).