(2R,4R)-nonadec-18-ene-1,2,4-triol

C19H38O3 — CID 171749801

IUPAC(2R,4R)-nonadec-18-ene-1,2,4-triol
SMILESC=CCCCCCCCCCCCCC[C@@H](O)C[C@@H](O)CO
InChIInChI=1S/C19H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20/h2,18-22H,1,3-17H2/t18-,19-/m1/s1
InChIKeyHQQLTUTWJJLFEC-RTBURBONSA-N
MW314.51 g/mol
LogP4.35
Rot. Bonds17

About (2R,4R)-nonadec-18-ene-1,2,4-triol

(2R,4R)-nonadec-18-ene-1,2,4-triol (PubChem CID 171749801) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is (2R,4R)-nonadec-18-ene-1,2,4-triol.

Molecular Properties

Compound Name(2R,4R)-nonadec-18-ene-1,2,4-triol
PubChem CID171749801
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name(2R,4R)-nonadec-18-ene-1,2,4-triol
SMILESC=CCCCCCCCCCCCCC[C@@H](O)C[C@@H](O)CO
InChIInChI=1S/C19H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20/h2,18-22H,1,3-17H2/t18-,19-/m1/s1
InChIKeyHQQLTUTWJJLFEC-RTBURBONSA-N
XLogP4.35
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.35
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

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CID 38363735
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CID 10584668
2-(hydroxymethyl)-6-undec-10-enylheptane-1,4,7-triol
CID 141449008
3-methylpentadec-14-en-5-ol
CID 10823994
2-dec-9-enylpropane-1,3-diol
CID 135271441
octadec-1-ene;propane-1,2,3-triol
CID 87523216
1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol
CID 87864573
nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250
1-bromooct-7-en-2-ol
CID 12003548
(4R,5R)-pentadec-14-ene-1,4,5-triol
CID 11747294
3-hydroxydec-9-enoic acid
CID 19010677

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-nonadec-18-ene-1,2,4-triol?
The IUPAC name of (2R,4R)-nonadec-18-ene-1,2,4-triol (CID 171749801) is (2R,4R)-nonadec-18-ene-1,2,4-triol.
What is the SMILES notation for (2R,4R)-nonadec-18-ene-1,2,4-triol?
The canonical SMILES for (2R,4R)-nonadec-18-ene-1,2,4-triol is C=CCCCCCCCCCCCCC[C@@H](O)C[C@@H](O)CO.
What is the InChIKey of (2R,4R)-nonadec-18-ene-1,2,4-triol?
The InChIKey is HQQLTUTWJJLFEC-RTBURBONSA-N. The full InChI is InChI=1S/C19H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20/h2,18-22H,1,3-17H2/t18-,19-/m1/s1.
What are the key properties of (2R,4R)-nonadec-18-ene-1,2,4-triol?
(2R,4R)-nonadec-18-ene-1,2,4-triol has a molecular weight of 314.51 g/mol, XLogP of 4.35, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-nonadec-18-ene-1,2,4-triol is sourced from PubChem (CID 171749801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).