(E,3S,5S)-dec-8-ene-1,3,5-triol

C10H20O3 — CID 15675440

IUPAC(E,3S,5S)-dec-8-ene-1,3,5-triol
SMILESC/C=C/CC[C@H](O)C[C@@H](O)CCO
InChIInChI=1S/C10H20O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-3,9-13H,4-8H2,1H3/b3-2+/t9-,10-/m0/s1
InChIKeyNRWIMDSYLCLSTJ-AQHVTNBVSA-N
MW188.27 g/mol
LogP0.84
Rot. Bonds7

About (E,3S,5S)-dec-8-ene-1,3,5-triol

(E,3S,5S)-dec-8-ene-1,3,5-triol (PubChem CID 15675440) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (E,3S,5S)-dec-8-ene-1,3,5-triol.

Molecular Properties

Compound Name(E,3S,5S)-dec-8-ene-1,3,5-triol
PubChem CID15675440
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(E,3S,5S)-dec-8-ene-1,3,5-triol
SMILESC/C=C/CC[C@H](O)C[C@@H](O)CCO
InChIInChI=1S/C10H20O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-3,9-13H,4-8H2,1H3/b3-2+/t9-,10-/m0/s1
InChIKeyNRWIMDSYLCLSTJ-AQHVTNBVSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3S,5S)-dec-8-ene-1,3,5-triol?
The IUPAC name of (E,3S,5S)-dec-8-ene-1,3,5-triol (CID 15675440) is (E,3S,5S)-dec-8-ene-1,3,5-triol.
What is the SMILES notation for (E,3S,5S)-dec-8-ene-1,3,5-triol?
The canonical SMILES for (E,3S,5S)-dec-8-ene-1,3,5-triol is C/C=C/CC[C@H](O)C[C@@H](O)CCO.
What is the InChIKey of (E,3S,5S)-dec-8-ene-1,3,5-triol?
The InChIKey is NRWIMDSYLCLSTJ-AQHVTNBVSA-N. The full InChI is InChI=1S/C10H20O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-3,9-13H,4-8H2,1H3/b3-2+/t9-,10-/m0/s1.
What are the key properties of (E,3S,5S)-dec-8-ene-1,3,5-triol?
(E,3S,5S)-dec-8-ene-1,3,5-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,3S,5S)-dec-8-ene-1,3,5-triol is sourced from PubChem (CID 15675440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).