(Z,2S,3R)-non-4-ene-2,3-diol

C9H18O2 — CID 11321105

IUPAC(Z,2S,3R)-non-4-ene-2,3-diol
SMILESCCCC/C=C\[C@@H](O)[C@H](C)O
InChIInChI=1S/C9H18O2/c1-3-4-5-6-7-9(11)8(2)10/h6-11H,3-5H2,1-2H3/b7-6-/t8-,9+/m0/s1
InChIKeyZMXQIGOIFXTJTO-XFPDIIEBSA-N
MW158.24 g/mol
LogP1.47
Rot. Bonds5

About (Z,2S,3R)-non-4-ene-2,3-diol

(Z,2S,3R)-non-4-ene-2,3-diol (PubChem CID 11321105) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (Z,2S,3R)-non-4-ene-2,3-diol.

Molecular Properties

Compound Name(Z,2S,3R)-non-4-ene-2,3-diol
PubChem CID11321105
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(Z,2S,3R)-non-4-ene-2,3-diol
SMILESCCCC/C=C\[C@@H](O)[C@H](C)O
InChIInChI=1S/C9H18O2/c1-3-4-5-6-7-9(11)8(2)10/h6-11H,3-5H2,1-2H3/b7-6-/t8-,9+/m0/s1
InChIKeyZMXQIGOIFXTJTO-XFPDIIEBSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z,2R)-non-3-en-2-ol
CID 11040800
deca-1,5-diene-3,4-diol
CID 130238346
(E)-hept-2-ene-1,1-diol
CID 87660901
undec-3-en-2-ol
CID 174515693
(E,2S,3S)-3-methylundec-4-en-2-ol
CID 10465011
(E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol
CID 134945880
(Z)-2-methyloct-3-ene;octane
CID 159051061
(E)-3-methylnon-4-ene
CID 13082837
(Z,3S)-2,2-dimethylnon-4-en-3-ol
CID 129365171
(E,1S,2R)-1-phenyloct-3-ene-1,2-diol
CID 101054881
(E,2R)-non-4-en-2-ol
CID 131232400
(E,2R,3R)-1,2-diaminooctadec-4-ene-1,3-diol
CID 140541829

Frequently Asked Questions

What is the IUPAC name of (Z,2S,3R)-non-4-ene-2,3-diol?
The IUPAC name of (Z,2S,3R)-non-4-ene-2,3-diol (CID 11321105) is (Z,2S,3R)-non-4-ene-2,3-diol.
What is the SMILES notation for (Z,2S,3R)-non-4-ene-2,3-diol?
The canonical SMILES for (Z,2S,3R)-non-4-ene-2,3-diol is CCCC/C=C\[C@@H](O)[C@H](C)O.
What is the InChIKey of (Z,2S,3R)-non-4-ene-2,3-diol?
The InChIKey is ZMXQIGOIFXTJTO-XFPDIIEBSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-5-6-7-9(11)8(2)10/h6-11H,3-5H2,1-2H3/b7-6-/t8-,9+/m0/s1.
What are the key properties of (Z,2S,3R)-non-4-ene-2,3-diol?
(Z,2S,3R)-non-4-ene-2,3-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 (Z,2S,3R)-non-4-ene-2,3-diol is sourced from PubChem (CID 11321105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).