(E,2S)-dec-3-ene-1,2-diol

C10H20O2 — CID 101192698

IUPAC(E,2S)-dec-3-ene-1,2-diol
SMILESCCCCCC/C=C/[C@H](O)CO
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-10(12)9-11/h7-8,10-12H,2-6,9H2,1H3/b8-7+/t10-/m0/s1
InChIKeyXLGINLXDUBHRSA-JARNTUPDSA-N
MW172.27 g/mol
LogP1.87
Rot. Bonds7

About (E,2S)-dec-3-ene-1,2-diol

(E,2S)-dec-3-ene-1,2-diol (PubChem CID 101192698) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E,2S)-dec-3-ene-1,2-diol.

Molecular Properties

Compound Name(E,2S)-dec-3-ene-1,2-diol
PubChem CID101192698
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E,2S)-dec-3-ene-1,2-diol
SMILESCCCCCC/C=C/[C@H](O)CO
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-10(12)9-11/h7-8,10-12H,2-6,9H2,1H3/b8-7+/t10-/m0/s1
InChIKeyXLGINLXDUBHRSA-JARNTUPDSA-N
XLogP1.87
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 ≤ 51.87
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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Related Compounds

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1-aminooctadec-4-ene-1,3-diol
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undec-3-en-2-ol
CID 174515693
propane-1,2,3-triol;tridec-2-ene
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(16R)-icosa-5,14-diene-1,16-diol
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(E)-2-aminoheptadec-4-ene-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of (E,2S)-dec-3-ene-1,2-diol?
The IUPAC name of (E,2S)-dec-3-ene-1,2-diol (CID 101192698) is (E,2S)-dec-3-ene-1,2-diol.
What is the SMILES notation for (E,2S)-dec-3-ene-1,2-diol?
The canonical SMILES for (E,2S)-dec-3-ene-1,2-diol is CCCCCC/C=C/[C@H](O)CO.
What is the InChIKey of (E,2S)-dec-3-ene-1,2-diol?
The InChIKey is XLGINLXDUBHRSA-JARNTUPDSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-10(12)9-11/h7-8,10-12H,2-6,9H2,1H3/b8-7+/t10-/m0/s1.
What are the key properties of (E,2S)-dec-3-ene-1,2-diol?
(E,2S)-dec-3-ene-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-dec-3-ene-1,2-diol is sourced from PubChem (CID 101192698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).