(4R,5R)-pentadec-14-ene-1,4,5-triol

C15H30O3 — CID 11747294

IUPAC(4R,5R)-pentadec-14-ene-1,4,5-triol
SMILESC=CCCCCCCCC[C@@H](O)[C@H](O)CCCO
InChIInChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-11-14(17)15(18)12-10-13-16/h2,14-18H,1,3-13H2/t14-,15-/m1/s1
InChIKeyGJTCVCCEDSBHNA-HUUCEWRRSA-N
MW258.40 g/mol
LogP2.79
Rot. Bonds13

About (4R,5R)-pentadec-14-ene-1,4,5-triol

(4R,5R)-pentadec-14-ene-1,4,5-triol (PubChem CID 11747294) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is (4R,5R)-pentadec-14-ene-1,4,5-triol.

Molecular Properties

Compound Name(4R,5R)-pentadec-14-ene-1,4,5-triol
PubChem CID11747294
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name(4R,5R)-pentadec-14-ene-1,4,5-triol
SMILESC=CCCCCCCCC[C@@H](O)[C@H](O)CCCO
InChIInChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-11-14(17)15(18)12-10-13-16/h2,14-18H,1,3-13H2/t14-,15-/m1/s1
InChIKeyGJTCVCCEDSBHNA-HUUCEWRRSA-N
XLogP2.79
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 52.79
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

(3R,4R)-non-8-ene-1,3,4-triol
CID 10866828
dec-9-ene-2,3-diol
CID 107008756
tridecane-1,4,5,13-tetrol
CID 57164237
2-dec-9-enylpropane-1,3-diol
CID 135271441
octadeca-9,17-dien-1-ol
CID 78409331
(9E)-nonadeca-9,18-diene-6,7-diol
CID 20847648
(2R,4R)-nonadec-18-ene-1,2,4-triol
CID 171749801
1-(3-hydroxypropylamino)-2-methylnon-8-en-1-ol
CID 123988888
methoxymethane;tridec-12-en-1-ol
CID 87674016
1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol
CID 101275237
trifluoro(1-hydroxyundec-10-enyl)boranuide
CID 135002996
2-(hydroxymethyl)-6-undec-10-enylheptane-1,4,7-triol
CID 141449008

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-pentadec-14-ene-1,4,5-triol?
The IUPAC name of (4R,5R)-pentadec-14-ene-1,4,5-triol (CID 11747294) is (4R,5R)-pentadec-14-ene-1,4,5-triol.
What is the SMILES notation for (4R,5R)-pentadec-14-ene-1,4,5-triol?
The canonical SMILES for (4R,5R)-pentadec-14-ene-1,4,5-triol is C=CCCCCCCCC[C@@H](O)[C@H](O)CCCO.
What is the InChIKey of (4R,5R)-pentadec-14-ene-1,4,5-triol?
The InChIKey is GJTCVCCEDSBHNA-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-11-14(17)15(18)12-10-13-16/h2,14-18H,1,3-13H2/t14-,15-/m1/s1.
What are the key properties of (4R,5R)-pentadec-14-ene-1,4,5-triol?
(4R,5R)-pentadec-14-ene-1,4,5-triol has a molecular weight of 258.40 g/mol, XLogP of 2.79, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-pentadec-14-ene-1,4,5-triol is sourced from PubChem (CID 11747294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).