nona-6,7-dien-2-ol

C9H16O — CID 86125656

IUPACnona-6,7-dien-2-ol
SMILESCC=C=CCCCC(C)O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3,5,9-10H,6-8H2,1-2H3
InChIKeyAUWRKEAGCLCQSF-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.27
Rot. Bonds4

About nona-6,7-dien-2-ol

nona-6,7-dien-2-ol (PubChem CID 86125656) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is nona-6,7-dien-2-ol.

Molecular Properties

Compound Namenona-6,7-dien-2-ol
PubChem CID86125656
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenona-6,7-dien-2-ol
SMILESCC=C=CCCCC(C)O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3,5,9-10H,6-8H2,1-2H3
InChIKeyAUWRKEAGCLCQSF-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-6,7-dien-2-ol?
The IUPAC name of nona-6,7-dien-2-ol (CID 86125656) is nona-6,7-dien-2-ol.
What is the SMILES notation for nona-6,7-dien-2-ol?
The canonical SMILES for nona-6,7-dien-2-ol is CC=C=CCCCC(C)O.
What is the InChIKey of nona-6,7-dien-2-ol?
The InChIKey is AUWRKEAGCLCQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3,5,9-10H,6-8H2,1-2H3.
What are the key properties of nona-6,7-dien-2-ol?
nona-6,7-dien-2-ol has a molecular weight of 140.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-6,7-dien-2-ol is sourced from PubChem (CID 86125656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).