(5E,7E)-2,2-dimethylnona-5,7-dien-3-ol

C11H20O — CID 10725802

IUPAC(5E,7E)-2,2-dimethylnona-5,7-dien-3-ol
SMILESC/C=C/C=C/CC(O)C(C)(C)C
InChIInChI=1S/C11H20O/c1-5-6-7-8-9-10(12)11(2,3)4/h5-8,10,12H,9H2,1-4H3/b6-5+,8-7+
InChIKeyISIBDFGXHKDCNQ-BSWSSELBSA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds3

About (5E,7E)-2,2-dimethylnona-5,7-dien-3-ol

(5E,7E)-2,2-dimethylnona-5,7-dien-3-ol (PubChem CID 10725802) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (5E,7E)-2,2-dimethylnona-5,7-dien-3-ol.

Molecular Properties

Compound Name(5E,7E)-2,2-dimethylnona-5,7-dien-3-ol
PubChem CID10725802
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(5E,7E)-2,2-dimethylnona-5,7-dien-3-ol
SMILESC/C=C/C=C/CC(O)C(C)(C)C
InChIInChI=1S/C11H20O/c1-5-6-7-8-9-10(12)11(2,3)4/h5-8,10,12H,9H2,1-4H3/b6-5+,8-7+
InChIKeyISIBDFGXHKDCNQ-BSWSSELBSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,7E)-2,2-dimethylnona-5,7-dien-3-ol?
The IUPAC name of (5E,7E)-2,2-dimethylnona-5,7-dien-3-ol (CID 10725802) is (5E,7E)-2,2-dimethylnona-5,7-dien-3-ol.
What is the SMILES notation for (5E,7E)-2,2-dimethylnona-5,7-dien-3-ol?
The canonical SMILES for (5E,7E)-2,2-dimethylnona-5,7-dien-3-ol is C/C=C/C=C/CC(O)C(C)(C)C.
What is the InChIKey of (5E,7E)-2,2-dimethylnona-5,7-dien-3-ol?
The InChIKey is ISIBDFGXHKDCNQ-BSWSSELBSA-N. The full InChI is InChI=1S/C11H20O/c1-5-6-7-8-9-10(12)11(2,3)4/h5-8,10,12H,9H2,1-4H3/b6-5+,8-7+.
What are the key properties of (5E,7E)-2,2-dimethylnona-5,7-dien-3-ol?
(5E,7E)-2,2-dimethylnona-5,7-dien-3-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-2,2-dimethylnona-5,7-dien-3-ol is sourced from PubChem (CID 10725802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).