2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one

C16H26O — CID 12619393

IUPAC2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one
SMILESCC(C)=CCC/C(C)=C\CC1CCCCC1=O
InChIInChI=1S/C16H26O/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17/h7,11,15H,4-6,8-10,12H2,1-3H3/b14-11-
InChIKeyBIIBCCSKYKIWEF-KAMYIIQDSA-N
MW234.38 g/mol
LogP4.83
Rot. Bonds5

About 2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one

2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one (PubChem CID 12619393) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one
PubChem CID12619393
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one
SMILESCC(C)=CCC/C(C)=C\CC1CCCCC1=O
InChIInChI=1S/C16H26O/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17/h7,11,15H,4-6,8-10,12H2,1-3H3/b14-11-
InChIKeyBIIBCCSKYKIWEF-KAMYIIQDSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one
CID 11095228
2-(3,7-dimethylocta-2,6-dienyl)cyclohexane-1,3-dione
CID 70579950
2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-ol;2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]cyclopentan-1-one;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-ol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one
CID 161413207
2-but-2-enylcyclohexan-1-one
CID 54275877
2-(3,7-dimethylnona-2,6-dienyl)cyclopentane-1,3-dione
CID 141279225
2-(4-hydroxypent-2-enyl)cyclohexan-1-one
CID 175419455
2-[(E)-but-2-enyl]cyclopentan-1-one
CID 14959733
2-(3-methylbut-3-enyl)cyclohexan-1-one
CID 11217447
2-(2-hydroxypropyl)cyclohexan-1-one
CID 15557851
2-ethylcyclohexan-1-one;formic acid
CID 137364111
2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-4-methyl-2H-furan-5-one
CID 69099244
(1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine
CID 124676145

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one?
The IUPAC name of 2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one (CID 12619393) is 2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one?
The canonical SMILES for 2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one is CC(C)=CCC/C(C)=C\CC1CCCCC1=O.
What is the InChIKey of 2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one?
The InChIKey is BIIBCCSKYKIWEF-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H26O/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17/h7,11,15H,4-6,8-10,12H2,1-3H3/b14-11-.
What are the key properties of 2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one?
2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one has a molecular weight of 234.38 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-one is sourced from PubChem (CID 12619393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).