7,7-dimethylnona-3,8-dien-2-ylcyclohexane

C17H30 — CID 173364964

IUPAC7,7-dimethylnona-3,8-dien-2-ylcyclohexane
SMILESC=CC(C)(C)CCC=CC(C)C1CCCCC1
InChIInChI=1S/C17H30/c1-5-17(3,4)14-10-9-11-15(2)16-12-7-6-8-13-16/h5,9,11,15-16H,1,6-8,10,12-14H2,2-4H3
InChIKeyFBLQDQLHZDVHMJ-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.75
Rot. Bonds6

About 7,7-dimethylnona-3,8-dien-2-ylcyclohexane

7,7-dimethylnona-3,8-dien-2-ylcyclohexane (PubChem CID 173364964) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 7,7-dimethylnona-3,8-dien-2-ylcyclohexane.

Molecular Properties

Compound Name7,7-dimethylnona-3,8-dien-2-ylcyclohexane
PubChem CID173364964
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name7,7-dimethylnona-3,8-dien-2-ylcyclohexane
SMILESC=CC(C)(C)CCC=CC(C)C1CCCCC1
InChIInChI=1S/C17H30/c1-5-17(3,4)14-10-9-11-15(2)16-12-7-6-8-13-16/h5,9,11,15-16H,1,6-8,10,12-14H2,2-4H3
InChIKeyFBLQDQLHZDVHMJ-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.75
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

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CID 10773441
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
2-methylhex-5-enylcyclohexane
CID 142828676
[(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane
CID 101458379
2-cyclohexylpropanal;1,1-diethoxyethane;ethene
CID 88595952
N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
1-cyclohexyl-2-methylhex-5-en-1-ol
CID 142828670
5-methylhept-6-en-2-ylcyclohexane
CID 145312672
4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81391896
4-[[(1S)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384605
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine
CID 116726355

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylnona-3,8-dien-2-ylcyclohexane?
The IUPAC name of 7,7-dimethylnona-3,8-dien-2-ylcyclohexane (CID 173364964) is 7,7-dimethylnona-3,8-dien-2-ylcyclohexane.
What is the SMILES notation for 7,7-dimethylnona-3,8-dien-2-ylcyclohexane?
The canonical SMILES for 7,7-dimethylnona-3,8-dien-2-ylcyclohexane is C=CC(C)(C)CCC=CC(C)C1CCCCC1.
What is the InChIKey of 7,7-dimethylnona-3,8-dien-2-ylcyclohexane?
The InChIKey is FBLQDQLHZDVHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-5-17(3,4)14-10-9-11-15(2)16-12-7-6-8-13-16/h5,9,11,15-16H,1,6-8,10,12-14H2,2-4H3.
What are the key properties of 7,7-dimethylnona-3,8-dien-2-ylcyclohexane?
7,7-dimethylnona-3,8-dien-2-ylcyclohexane has a molecular weight of 234.43 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylnona-3,8-dien-2-ylcyclohexane is sourced from PubChem (CID 173364964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).