nona-2,4-diene-1,7-diol

C9H16O2 — CID 54560348

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

About nona-2,4-diene-1,7-diol

nona-2,4-diene-1,7-diol (PubChem CID 54560348) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is nona-2,4-diene-1,7-diol.

Molecular Properties

Compound Namenona-2,4-diene-1,7-diol
PubChem CID54560348
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namenona-2,4-diene-1,7-diol
SMILESCCC(O)CC=CC=CCO
InChIInChI=1S/C9H16O2/c1-2-9(11)7-5-3-4-6-8-10/h3-6,9-11H,2,7-8H2,1H3
InChIKeyZQCPQTQUZULHKV-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

hexadeca-2,4,6,8,10-pentaene-1,13-diol
CID 71373655
(5E)-octa-5,7-dien-3-ol
CID 12576352
(2E,4E)-hexa-2,4-diene-1,6-diol
CID 6440316
deca-4,6-diene-1,2-diol
CID 91327599
(E)-dec-5-en-3-ol
CID 21493231
hex-4-ene-1,2,6-triol
CID 140660957
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
pentan-3-ol
CID 11428
7-methyloct-2-ene-1,5-diol;oct-1-ene-1,6-diol;oct-2-ene-1,6-diol
CID 173320437
3-hydroxypentanal;methanamine
CID 174648159
docosa-2,4,7,10,13,16,19-heptaen-1-ol
CID 74387239

Frequently Asked Questions

What is the IUPAC name of nona-2,4-diene-1,7-diol?
The IUPAC name of nona-2,4-diene-1,7-diol (CID 54560348) is nona-2,4-diene-1,7-diol.
What is the SMILES notation for nona-2,4-diene-1,7-diol?
The canonical SMILES for nona-2,4-diene-1,7-diol is CCC(O)CC=CC=CCO.
What is the InChIKey of nona-2,4-diene-1,7-diol?
The InChIKey is ZQCPQTQUZULHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-9(11)7-5-3-4-6-8-10/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of nona-2,4-diene-1,7-diol?
nona-2,4-diene-1,7-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-2,4-diene-1,7-diol is sourced from PubChem (CID 54560348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).