[(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane

C12H22 — CID 10678664

IUPAC[(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane
SMILES[2H]C/C(C)=C(\C)CC1CCCCC1
InChIInChI=1S/C12H22/c1-10(2)11(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3/i1D/b11-10-
InChIKeySFELFENMBWVQEE-KUGBPQCKSA-N
MW167.31 g/mol
LogP4.31
Rot. Bonds3

About [(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane

[(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane (PubChem CID 10678664) has the molecular formula C12H22 and a molecular weight of 167.31 g/mol. Its IUPAC name is [(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane
PubChem CID10678664
Molecular FormulaC12H22
Molecular Weight167.31 g/mol
Exact Mass167.18
IUPAC Name[(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane
SMILES[2H]C/C(C)=C(\C)CC1CCCCC1
InChIInChI=1S/C12H22/c1-10(2)11(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3/i1D/b11-10-
InChIKeySFELFENMBWVQEE-KUGBPQCKSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.31
LogP ≤ 54.31
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

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
alpha-Bisabolene, (E)-
CID 5315468
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
CID 10354
(-)-beta-Curcumene
CID 14014430
(Z)-alpha-Bisabolene
CID 5352653
(E,R)-alpha-bisabolene
CID 13252682

Frequently Asked Questions

What is the IUPAC name of [(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane?
The IUPAC name of [(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane (CID 10678664) is [(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane.
What is the SMILES notation for [(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane?
The canonical SMILES for [(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane is [2H]C/C(C)=C(\C)CC1CCCCC1.
What is the InChIKey of [(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane?
The InChIKey is SFELFENMBWVQEE-KUGBPQCKSA-N. The full InChI is InChI=1S/C12H22/c1-10(2)11(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3/i1D/b11-10-.
What are the key properties of [(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane?
[(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane has a molecular weight of 167.31 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane is sourced from PubChem (CID 10678664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).