(2E)-nona-2,8-dien-1-ol

C9H16O — CID 14152343

IUPAC(2E)-nona-2,8-dien-1-ol
SMILESC=CCCCC/C=C/CO
InChIInChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h2,7-8,10H,1,3-6,9H2/b8-7+
InChIKeyCCRUWKGRGWGPNE-BQYQJAHWSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds6

About (2E)-nona-2,8-dien-1-ol

(2E)-nona-2,8-dien-1-ol (PubChem CID 14152343) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2E)-nona-2,8-dien-1-ol.

Molecular Properties

Compound Name(2E)-nona-2,8-dien-1-ol
PubChem CID14152343
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2E)-nona-2,8-dien-1-ol
SMILESC=CCCCC/C=C/CO
InChIInChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h2,7-8,10H,1,3-6,9H2/b8-7+
InChIKeyCCRUWKGRGWGPNE-BQYQJAHWSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-nona-2,8-dien-1-ol?
The IUPAC name of (2E)-nona-2,8-dien-1-ol (CID 14152343) is (2E)-nona-2,8-dien-1-ol.
What is the SMILES notation for (2E)-nona-2,8-dien-1-ol?
The canonical SMILES for (2E)-nona-2,8-dien-1-ol is C=CCCCC/C=C/CO.
What is the InChIKey of (2E)-nona-2,8-dien-1-ol?
The InChIKey is CCRUWKGRGWGPNE-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h2,7-8,10H,1,3-6,9H2/b8-7+.
What are the key properties of (2E)-nona-2,8-dien-1-ol?
(2E)-nona-2,8-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-nona-2,8-dien-1-ol is sourced from PubChem (CID 14152343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).