1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane

C14H24 — CID 163611322

IUPAC1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane
SMILESC=C(C(C)=C(C)C)C1CCC(C)CC1
InChIInChI=1S/C14H24/c1-10(2)12(4)13(5)14-8-6-11(3)7-9-14/h11,14H,5-9H2,1-4H3
InChIKeyHGDWCQHTZJFYBA-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds2

About 1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane

1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane (PubChem CID 163611322) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane
PubChem CID163611322
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane
SMILESC=C(C(C)=C(C)C)C1CCC(C)CC1
InChIInChI=1S/C14H24/c1-10(2)12(4)13(5)14-8-6-11(3)7-9-14/h11,14H,5-9H2,1-4H3
InChIKeyHGDWCQHTZJFYBA-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

isocyanic acid;1-methyl-4-prop-1-en-2-ylcyclohexane
CID 87750066
CID 153385207
CID 153385207
1-[1,1-bis(4-methylcyclohexyl)prop-1-en-2-yl]-4-methylcyclohexane
CID 140550481
1,4-dimethylcyclohexane;methanol
CID 70358527
CID 173230624
CID 173230624
1-[(3Z,5Z)-6-iodo-2-methylhepta-1,3,5-trien-3-yl]-4-methylcyclohexane
CID 90435928
(Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine
CID 155129918
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997
methanol;methylcyclopentane;prop-1-en-2-ol
CID 142006144
bis(1,4-dimethylcyclohexane);methane
CID 161326462
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid
CID 66625513

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane?
The IUPAC name of 1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane (CID 163611322) is 1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane.
What is the SMILES notation for 1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane?
The canonical SMILES for 1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane is C=C(C(C)=C(C)C)C1CCC(C)CC1.
What is the InChIKey of 1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane?
The InChIKey is HGDWCQHTZJFYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-10(2)12(4)13(5)14-8-6-11(3)7-9-14/h11,14H,5-9H2,1-4H3.
What are the key properties of 1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane?
1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane has a molecular weight of 192.35 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane is sourced from PubChem (CID 163611322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).