(2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol

C17H36O4 — CID 137323862

IUPAC(2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol
SMILESCCCCCCCCCCCC[C@@H](O)COC[C@@H](O)CO
InChIInChI=1S/C17H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)14-21-15-17(20)13-18/h16-20H,2-15H2,1H3/t16-,17+/m1/s1
InChIKeyNWPUZHCKNYVMOZ-SJORKVTESA-N
MW304.47 g/mol
LogP3.03
Rot. Bonds16

About (2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol

(2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol (PubChem CID 137323862) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is (2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol
PubChem CID137323862
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name(2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol
SMILESCCCCCCCCCCCC[C@@H](O)COC[C@@H](O)CO
InChIInChI=1S/C17H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)14-21-15-17(20)13-18/h16-20H,2-15H2,1H3/t16-,17+/m1/s1
InChIKeyNWPUZHCKNYVMOZ-SJORKVTESA-N
XLogP3.03
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[(2R)-2-hydroxynonadecoxy]propane-1,2-diol
CID 137323866
3-(2,3-dihydroxypropoxy)propane-1,2-diol;hexadecane;icosan-9-ol
CID 174724990
(2R)-3-[(2S)-2-methoxyhexadecoxy]propane-1,2-diol
CID 11057128
3-(2-ethyloctoxy)propane-1,2-diol
CID 23105906
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
CID 87375114
1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
CID 11796902
2,2-bis(hydroxymethyl)henicosane-1,3-diol;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 174795055
triacontane-1,2-diol
CID 19770548
(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
octane-1,2-diol
CID 159791136

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol?
The IUPAC name of (2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol (CID 137323862) is (2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol is CCCCCCCCCCCC[C@@H](O)COC[C@@H](O)CO.
What is the InChIKey of (2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol?
The InChIKey is NWPUZHCKNYVMOZ-SJORKVTESA-N. The full InChI is InChI=1S/C17H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)14-21-15-17(20)13-18/h16-20H,2-15H2,1H3/t16-,17+/m1/s1.
What are the key properties of (2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol?
(2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol has a molecular weight of 304.47 g/mol, XLogP of 3.03, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol is sourced from PubChem (CID 137323862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).