dec-9-ene-2,3-diol

C10H20O2 — CID 107008756

IUPACdec-9-ene-2,3-diol
SMILESC=CCCCCCC(O)C(C)O
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-10(12)9(2)11/h3,9-12H,1,4-8H2,2H3
InChIKeyJFMNLDZCRPMNGV-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.86
Rot. Bonds7

About dec-9-ene-2,3-diol

dec-9-ene-2,3-diol (PubChem CID 107008756) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is dec-9-ene-2,3-diol.

Molecular Properties

Compound Namedec-9-ene-2,3-diol
PubChem CID107008756
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namedec-9-ene-2,3-diol
SMILESC=CCCCCCC(O)C(C)O
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-10(12)9(2)11/h3,9-12H,1,4-8H2,2H3
InChIKeyJFMNLDZCRPMNGV-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.86
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

(2R,3S)-hept-6-ene-2,3-diol
CID 102384670
(4R,5R)-pentadec-14-ene-1,4,5-triol
CID 11747294
25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
12-propan-2-yltricosa-1,22-diene
CID 102161324
nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250
3-methoxy-2,2-dimethylundec-10-en-4-ol
CID 107008716
(2R,3S)-dodecane-2,3-diol
CID 163394646
(9E)-nonadeca-9,18-diene-6,7-diol
CID 20847648
14-methylhexadec-1-ene
CID 86185732
11-methyltridec-1-ene
CID 528465

Frequently Asked Questions

What is the IUPAC name of dec-9-ene-2,3-diol?
The IUPAC name of dec-9-ene-2,3-diol (CID 107008756) is dec-9-ene-2,3-diol.
What is the SMILES notation for dec-9-ene-2,3-diol?
The canonical SMILES for dec-9-ene-2,3-diol is C=CCCCCCC(O)C(C)O.
What is the InChIKey of dec-9-ene-2,3-diol?
The InChIKey is JFMNLDZCRPMNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-6-7-8-10(12)9(2)11/h3,9-12H,1,4-8H2,2H3.
What are the key properties of dec-9-ene-2,3-diol?
dec-9-ene-2,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-ene-2,3-diol is sourced from PubChem (CID 107008756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).