nona-1,8-dien-5-ol

C9H16O — CID 11829542

IUPACnona-1,8-dien-5-ol
SMILESC=CCCC(O)CCC=C
InChIInChI=1S/C9H16O/c1-3-5-7-9(10)8-6-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyORGOYEKENZSRPH-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds6

About nona-1,8-dien-5-ol

nona-1,8-dien-5-ol (PubChem CID 11829542) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is nona-1,8-dien-5-ol.

Molecular Properties

Compound Namenona-1,8-dien-5-ol
PubChem CID11829542
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenona-1,8-dien-5-ol
SMILESC=CCCC(O)CCC=C
InChIInChI=1S/C9H16O/c1-3-5-7-9(10)8-6-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyORGOYEKENZSRPH-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nona-1,8-dien-5-ol?
The IUPAC name of nona-1,8-dien-5-ol (CID 11829542) is nona-1,8-dien-5-ol.
What is the SMILES notation for nona-1,8-dien-5-ol?
The canonical SMILES for nona-1,8-dien-5-ol is C=CCCC(O)CCC=C.
What is the InChIKey of nona-1,8-dien-5-ol?
The InChIKey is ORGOYEKENZSRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-7-9(10)8-6-4-2/h3-4,9-10H,1-2,5-8H2.
What are the key properties of nona-1,8-dien-5-ol?
nona-1,8-dien-5-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 nona-1,8-dien-5-ol is sourced from PubChem (CID 11829542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).