nona-1,5-diene-3,7-diol

C9H16O2 — CID 57057192

IUPACnona-1,5-diene-3,7-diol
SMILESC=CC(O)CC=CC(O)CC
InChIInChI=1S/C9H16O2/c1-3-8(10)6-5-7-9(11)4-2/h3,5,7-11H,1,4,6H2,2H3
InChIKeyCXIUPIZGESNMPV-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.25
Rot. Bonds5

About nona-1,5-diene-3,7-diol

nona-1,5-diene-3,7-diol (PubChem CID 57057192) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is nona-1,5-diene-3,7-diol.

Molecular Properties

Compound Namenona-1,5-diene-3,7-diol
PubChem CID57057192
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namenona-1,5-diene-3,7-diol
SMILESC=CC(O)CC=CC(O)CC
InChIInChI=1S/C9H16O2/c1-3-8(10)6-5-7-9(11)4-2/h3,5,7-11H,1,4,6H2,2H3
InChIKeyCXIUPIZGESNMPV-UHFFFAOYSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,3R)-hept-4-en-3-ol
CID 11007865
octa-1,5,7-trien-3-ol
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(2S,3Z,6S)-1-[tert-butyl(dimethyl)silyl]oxyocta-3,7-diene-2,6-diol
CID 10540140
(3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol
CID 15441076
hexa-1,5-dien-3-ol;hydrochloride
CID 174661515
(E)-hex-4-en-3-ol
CID 5366234
(E)-2-methylhex-3-enoic acid;pent-1-en-3-ol
CID 88686843
(4R,5E,8R)-undeca-1,5-diene-4,8-diol
CID 101231224
(5E)-nona-1,5-dien-4-ol
CID 10931514
8-chlorooct-4-en-3-ol
CID 71392279
(5E)-2-methyldeca-5,9-diene-3,7-diol
CID 165357860
(3R,5R)-hepta-1,6-diene-3,5-diol
CID 11480453

Frequently Asked Questions

What is the IUPAC name of nona-1,5-diene-3,7-diol?
The IUPAC name of nona-1,5-diene-3,7-diol (CID 57057192) is nona-1,5-diene-3,7-diol.
What is the SMILES notation for nona-1,5-diene-3,7-diol?
The canonical SMILES for nona-1,5-diene-3,7-diol is C=CC(O)CC=CC(O)CC.
What is the InChIKey of nona-1,5-diene-3,7-diol?
The InChIKey is CXIUPIZGESNMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-8(10)6-5-7-9(11)4-2/h3,5,7-11H,1,4,6H2,2H3.
What are the key properties of nona-1,5-diene-3,7-diol?
nona-1,5-diene-3,7-diol has a molecular weight of 156.22 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nona-1,5-diene-3,7-diol is sourced from PubChem (CID 57057192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).