dec-9-ene-1,2-diol

C10H20O2 — CID 3020997

IUPACdec-9-ene-1,2-diol
SMILESC=CCCCCCCC(O)CO
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-10(12)9-11/h2,10-12H,1,3-9H2
InChIKeyJZRZUZGKZKFMJO-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.87
Rot. Bonds8

About dec-9-ene-1,2-diol

dec-9-ene-1,2-diol (PubChem CID 3020997) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is dec-9-ene-1,2-diol.

Molecular Properties

Compound Namedec-9-ene-1,2-diol
PubChem CID3020997
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namedec-9-ene-1,2-diol
SMILESC=CCCCCCCC(O)CO
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-10(12)9-11/h2,10-12H,1,3-9H2
InChIKeyJZRZUZGKZKFMJO-UHFFFAOYSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of dec-9-ene-1,2-diol?
The IUPAC name of dec-9-ene-1,2-diol (CID 3020997) is dec-9-ene-1,2-diol.
What is the SMILES notation for dec-9-ene-1,2-diol?
The canonical SMILES for dec-9-ene-1,2-diol is C=CCCCCCCC(O)CO.
What is the InChIKey of dec-9-ene-1,2-diol?
The InChIKey is JZRZUZGKZKFMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-10(12)9-11/h2,10-12H,1,3-9H2.
What are the key properties of dec-9-ene-1,2-diol?
dec-9-ene-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-ene-1,2-diol is sourced from PubChem (CID 3020997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).