(2R,4R)-nonadec-6-ene-1,2,4-triol

C19H38O3 — CID 162937145

IUPAC(2R,4R)-nonadec-6-ene-1,2,4-triol
SMILESCCCCCCCCCCCCC=CC[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/h13-14,18-22H,2-12,15-17H2,1H3/t18-,19-/m1/s1
InChIKeyYPZCQHSGCUITIP-RTBURBONSA-N
MW314.51 g/mol
LogP4.35
Rot. Bonds16

About (2R,4R)-nonadec-6-ene-1,2,4-triol

(2R,4R)-nonadec-6-ene-1,2,4-triol (PubChem CID 162937145) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is (2R,4R)-nonadec-6-ene-1,2,4-triol.

Molecular Properties

Compound Name(2R,4R)-nonadec-6-ene-1,2,4-triol
PubChem CID162937145
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name(2R,4R)-nonadec-6-ene-1,2,4-triol
SMILESCCCCCCCCCCCCC=CC[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/h13-14,18-22H,2-12,15-17H2,1H3/t18-,19-/m1/s1
InChIKeyYPZCQHSGCUITIP-RTBURBONSA-N
XLogP4.35
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
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

(E,2S,4R)-nonadec-6-ene-1,2,4-triol
CID 56590714
(E)-dec-4-ene-1,2-diol
CID 13288576
3,5-dihydroxytetradec-7-enoic acid
CID 54529529
octadec-9-ene-1,2-diol
CID 139720566
(E)-heptadec-7-en-5-ol
CID 122442571
(Z)-octadec-10-en-8-ol
CID 173051806
(E)-nonadec-5-ene-1,2-diol
CID 142781627
(Z)-pentadec-8-en-6-ol
CID 10398809
(E,10S)-henicos-7-en-10-ol
CID 14607531
(12R)-2-(2,3-dihydroxypropyl)-12-hydroxyoctadec-9-enoic acid
CID 54250434
(Z,12R)-2-(2,3-dihydroxypropyl)-12-hydroxyoctadec-9-enoic acid
CID 87293567
1-aminotridec-4-en-2-ol
CID 73116703

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-nonadec-6-ene-1,2,4-triol?
The IUPAC name of (2R,4R)-nonadec-6-ene-1,2,4-triol (CID 162937145) is (2R,4R)-nonadec-6-ene-1,2,4-triol.
What is the SMILES notation for (2R,4R)-nonadec-6-ene-1,2,4-triol?
The canonical SMILES for (2R,4R)-nonadec-6-ene-1,2,4-triol is CCCCCCCCCCCCC=CC[C@@H](O)C[C@@H](O)CO.
What is the InChIKey of (2R,4R)-nonadec-6-ene-1,2,4-triol?
The InChIKey is YPZCQHSGCUITIP-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/h13-14,18-22H,2-12,15-17H2,1H3/t18-,19-/m1/s1.
What are the key properties of (2R,4R)-nonadec-6-ene-1,2,4-triol?
(2R,4R)-nonadec-6-ene-1,2,4-triol has a molecular weight of 314.51 g/mol, XLogP of 4.35, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-nonadec-6-ene-1,2,4-triol is sourced from PubChem (CID 162937145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).