(2E,5E)-nona-2,5-dien-1-ol

C9H16O — CID 12773963

IUPAC(2E,5E)-nona-2,5-dien-1-ol
SMILESCCC/C=C/C/C=C/CO
InChIInChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h4-5,7-8,10H,2-3,6,9H2,1H3/b5-4+,8-7+
InChIKeyRSERSSPKYOTBJG-AOSYACOCSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds5

About (2E,5E)-nona-2,5-dien-1-ol

(2E,5E)-nona-2,5-dien-1-ol (PubChem CID 12773963) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2E,5E)-nona-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E,5E)-nona-2,5-dien-1-ol
PubChem CID12773963
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2E,5E)-nona-2,5-dien-1-ol
SMILESCCC/C=C/C/C=C/CO
InChIInChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h4-5,7-8,10H,2-3,6,9H2,1H3/b5-4+,8-7+
InChIKeyRSERSSPKYOTBJG-AOSYACOCSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-hex-2-en-1-ol;hydrochloride
CID 141009996
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
acetic acid;(Z)-hex-2-en-1-ol
CID 170839903
1-iododeca-3,6-diene
CID 71329252
(213C)octa-2,6-diene-1,8-diol
CID 57064560
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
(2E,4E,6Z,9Z)-pentadeca-2,4,6,9-tetraen-1-ol
CID 14280305
docosa-3,6,9,12,15,18-hexaenoic acid
CID 57358010
(E)-nonadec-2-en-1-ol
CID 10869774
octadeca-2,13-dien-1-ol
CID 543270

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-nona-2,5-dien-1-ol?
The IUPAC name of (2E,5E)-nona-2,5-dien-1-ol (CID 12773963) is (2E,5E)-nona-2,5-dien-1-ol.
What is the SMILES notation for (2E,5E)-nona-2,5-dien-1-ol?
The canonical SMILES for (2E,5E)-nona-2,5-dien-1-ol is CCC/C=C/C/C=C/CO.
What is the InChIKey of (2E,5E)-nona-2,5-dien-1-ol?
The InChIKey is RSERSSPKYOTBJG-AOSYACOCSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h4-5,7-8,10H,2-3,6,9H2,1H3/b5-4+,8-7+.
What are the key properties of (2E,5E)-nona-2,5-dien-1-ol?
(2E,5E)-nona-2,5-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-nona-2,5-dien-1-ol is sourced from PubChem (CID 12773963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).