nona-2,3-dien-1-ol

C9H16O — CID 10103256

IUPACnona-2,3-dien-1-ol
SMILESCCCCCC=C=CCO
InChIInChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h6,8,10H,2-5,9H2,1H3
InChIKeyCEBXRGKWZQABRA-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.27
Rot. Bonds5

About nona-2,3-dien-1-ol

nona-2,3-dien-1-ol (PubChem CID 10103256) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is nona-2,3-dien-1-ol.

Molecular Properties

Compound Namenona-2,3-dien-1-ol
PubChem CID10103256
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenona-2,3-dien-1-ol
SMILESCCCCCC=C=CCO
InChIInChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h6,8,10H,2-5,9H2,1H3
InChIKeyCEBXRGKWZQABRA-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nona-2,3-dien-1-ol?
The IUPAC name of nona-2,3-dien-1-ol (CID 10103256) is nona-2,3-dien-1-ol.
What is the SMILES notation for nona-2,3-dien-1-ol?
The canonical SMILES for nona-2,3-dien-1-ol is CCCCCC=C=CCO.
What is the InChIKey of nona-2,3-dien-1-ol?
The InChIKey is CEBXRGKWZQABRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h6,8,10H,2-5,9H2,1H3.
What are the key properties of nona-2,3-dien-1-ol?
nona-2,3-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,3-dien-1-ol is sourced from PubChem (CID 10103256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).