(2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol

C17H30O — CID 11128747

IUPAC(2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CCC1CCCCC1
InChIInChI=1S/C17H30O/c1-15(7-6-8-16(2)13-14-18)11-12-17-9-4-3-5-10-17/h7,13,17-18H,3-6,8-12,14H2,1-2H3/b15-7+,16-13+
InChIKeyKNAASNBXIISVLB-HLVCTGTRSA-N
MW250.43 g/mol
LogP5.01
Rot. Bonds7

About (2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol

(2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol (PubChem CID 11128747) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol
PubChem CID11128747
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CCC1CCCCC1
InChIInChI=1S/C17H30O/c1-15(7-6-8-16(2)13-14-18)11-12-17-9-4-3-5-10-17/h7,13,17-18H,3-6,8-12,14H2,1-2H3/b15-7+,16-13+
InChIKeyKNAASNBXIISVLB-HLVCTGTRSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol (CID 11128747) is (2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol is C/C(=C\CO)CC/C=C(\C)CCC1CCCCC1.
What is the InChIKey of (2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol?
The InChIKey is KNAASNBXIISVLB-HLVCTGTRSA-N. The full InChI is InChI=1S/C17H30O/c1-15(7-6-8-16(2)13-14-18)11-12-17-9-4-3-5-10-17/h7,13,17-18H,3-6,8-12,14H2,1-2H3/b15-7+,16-13+.
What are the key properties of (2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol?
(2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol has a molecular weight of 250.43 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-9-cyclohexyl-3,7-dimethylnona-2,6-dien-1-ol is sourced from PubChem (CID 11128747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).