non-2-ene-4,6-diol

C9H18O2 — CID 91115138

IUPACnon-2-ene-4,6-diol
SMILESCC=CC(O)CC(O)CCC
InChIInChI=1S/C9H18O2/c1-3-5-8(10)7-9(11)6-4-2/h3,5,8-11H,4,6-7H2,1-2H3
InChIKeyRZADRWKXKLQMGA-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.47
Rot. Bonds5

About non-2-ene-4,6-diol

non-2-ene-4,6-diol (PubChem CID 91115138) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is non-2-ene-4,6-diol.

Molecular Properties

Compound Namenon-2-ene-4,6-diol
PubChem CID91115138
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namenon-2-ene-4,6-diol
SMILESCC=CC(O)CC(O)CCC
InChIInChI=1S/C9H18O2/c1-3-5-8(10)7-9(11)6-4-2/h3,5,8-11H,4,6-7H2,1-2H3
InChIKeyRZADRWKXKLQMGA-UHFFFAOYSA-N
XLogP1.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.47
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

(3S,5S)-oct-6-ene-3,5-diol
CID 91195913
(E)-hex-4-en-3-ol
CID 5366234
(Z)-undec-2-en-4-ol
CID 14320443
heptane-2,4-diol
CID 161420509
dec-8-en-4-ol
CID 56606618
(E)-dec-8-en-4-ol
CID 19937281
octane-3,5-diol;scandium
CID 164810284
(E)-2-methylhept-5-ene-1,4-diol
CID 10606868
2-methylocta-1,6-diene-3,5-diol
CID 173315140
2-iodoheptan-4-ol
CID 18920941
decane-4,6-diol;scandium
CID 164810305
nonane-2,4,6-triol
CID 87069137

Frequently Asked Questions

What is the IUPAC name of non-2-ene-4,6-diol?
The IUPAC name of non-2-ene-4,6-diol (CID 91115138) is non-2-ene-4,6-diol.
What is the SMILES notation for non-2-ene-4,6-diol?
The canonical SMILES for non-2-ene-4,6-diol is CC=CC(O)CC(O)CCC.
What is the InChIKey of non-2-ene-4,6-diol?
The InChIKey is RZADRWKXKLQMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-5-8(10)7-9(11)6-4-2/h3,5,8-11H,4,6-7H2,1-2H3.
What are the key properties of non-2-ene-4,6-diol?
non-2-ene-4,6-diol has a molecular weight of 158.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-ene-4,6-diol is sourced from PubChem (CID 91115138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).