nona-6,8-dien-4-ol

C9H16O — CID 56621506

IUPACnona-6,8-dien-4-ol
SMILESC=CC=CCC(O)CCC
InChIInChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h3,5-6,9-10H,1,4,7-8H2,2H3
InChIKeyPLOCAOROOZYEOA-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds5

About nona-6,8-dien-4-ol

nona-6,8-dien-4-ol (PubChem CID 56621506) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is nona-6,8-dien-4-ol.

Molecular Properties

Compound Namenona-6,8-dien-4-ol
PubChem CID56621506
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenona-6,8-dien-4-ol
SMILESC=CC=CCC(O)CCC
InChIInChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h3,5-6,9-10H,1,4,7-8H2,2H3
InChIKeyPLOCAOROOZYEOA-UHFFFAOYSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nona-6,8-dien-4-ol?
The IUPAC name of nona-6,8-dien-4-ol (CID 56621506) is nona-6,8-dien-4-ol.
What is the SMILES notation for nona-6,8-dien-4-ol?
The canonical SMILES for nona-6,8-dien-4-ol is C=CC=CCC(O)CCC.
What is the InChIKey of nona-6,8-dien-4-ol?
The InChIKey is PLOCAOROOZYEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h3,5-6,9-10H,1,4,7-8H2,2H3.
What are the key properties of nona-6,8-dien-4-ol?
nona-6,8-dien-4-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 nona-6,8-dien-4-ol is sourced from PubChem (CID 56621506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).