(E)-dec-7-ene-1,3,9-triol

C10H20O3 — CID 162415267

IUPAC(E)-dec-7-ene-1,3,9-triol
SMILESCC(O)/C=C/CCCC(O)CCO
InChIInChI=1S/C10H20O3/c1-9(12)5-3-2-4-6-10(13)7-8-11/h3,5,9-13H,2,4,6-8H2,1H3/b5-3+
InChIKeyIAWKZVSLFWMMPE-HWKANZROSA-N
MW188.27 g/mol
LogP0.84
Rot. Bonds7

About (E)-dec-7-ene-1,3,9-triol

(E)-dec-7-ene-1,3,9-triol (PubChem CID 162415267) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (E)-dec-7-ene-1,3,9-triol.

Molecular Properties

Compound Name(E)-dec-7-ene-1,3,9-triol
PubChem CID162415267
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(E)-dec-7-ene-1,3,9-triol
SMILESCC(O)/C=C/CCCC(O)CCO
InChIInChI=1S/C10H20O3/c1-9(12)5-3-2-4-6-10(13)7-8-11/h3,5,9-13H,2,4,6-8H2,1H3/b5-3+
InChIKeyIAWKZVSLFWMMPE-HWKANZROSA-N
XLogP0.84
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(E)-hexadec-7-ene-1,3-diol
CID 134326669
7-methyloct-4-ene-1,6-diol
CID 57100736
dec-3-ene-2,9-diol
CID 57127068
(Z,2R)-non-3-en-2-ol
CID 11040800
undec-3-en-2-ol
CID 174515693
(Z)-dodec-6-ene-1,3-diol
CID 10488272
(3S,25S)-hexacosane-1,3,25-triol
CID 163073285
(E,2S)-7-[hydroxy(methyl)amino]hept-3-en-2-ol
CID 100983673
(Z)-6-methylhept-4-en-1-ol
CID 13494537
hexadecane-1,3,16-triol
CID 90439794
(E)-hex-3-ene-2,5-diol;octane-1,8-diol
CID 18968496
octadecane-1,3,18-triol
CID 90439804

Frequently Asked Questions

What is the IUPAC name of (E)-dec-7-ene-1,3,9-triol?
The IUPAC name of (E)-dec-7-ene-1,3,9-triol (CID 162415267) is (E)-dec-7-ene-1,3,9-triol.
What is the SMILES notation for (E)-dec-7-ene-1,3,9-triol?
The canonical SMILES for (E)-dec-7-ene-1,3,9-triol is CC(O)/C=C/CCCC(O)CCO.
What is the InChIKey of (E)-dec-7-ene-1,3,9-triol?
The InChIKey is IAWKZVSLFWMMPE-HWKANZROSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(12)5-3-2-4-6-10(13)7-8-11/h3,5,9-13H,2,4,6-8H2,1H3/b5-3+.
What are the key properties of (E)-dec-7-ene-1,3,9-triol?
(E)-dec-7-ene-1,3,9-triol has a molecular weight of 188.27 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dec-7-ene-1,3,9-triol is sourced from PubChem (CID 162415267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).