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

C18H38O4 — CID 137323863

IUPAC(2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol
SMILESCCCCCCCCCCCCC[C@@H](O)COC[C@@H](O)CO
InChIInChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)15-22-16-18(21)14-19/h17-21H,2-16H2,1H3/t17-,18+/m1/s1
InChIKeyXNBDVGMHTKTALN-MSOLQXFVSA-N
MW318.50 g/mol
LogP3.42
Rot. Bonds17

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

(2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol (PubChem CID 137323863) has the molecular formula C18H38O4 and a molecular weight of 318.50 g/mol. Its IUPAC name is (2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol
PubChem CID137323863
Molecular FormulaC18H38O4
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name(2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol
SMILESCCCCCCCCCCCCC[C@@H](O)COC[C@@H](O)CO
InChIInChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)15-22-16-18(21)14-19/h17-21H,2-16H2,1H3/t17-,18+/m1/s1
InChIKeyXNBDVGMHTKTALN-MSOLQXFVSA-N
XLogP3.42
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nonaethylene Glycol Monododecyl Ether
CID 656641
Batyl Alcohol
CID 3681
3,6,9,12-Tetraoxatetracosan-1-ol
CID 78933
Ethylene glycol monooctadecyl ether
CID 75050
1-O-Hexadecylglycerol
CID 72733
1,2-Hexadecanediol
CID 98037
Chimyl Alcohol
CID 10448487
Laureth-2
CID 76457
2-(2-(2-(Dodecyloxy)ethoxy)ethoxy)ethanol
CID 76458
3,6,9,12,15,18-Hexaoxatriacontan-1-ol
CID 18282
C12E8
CID 123921
3-Hexyloxypropylene glycol
CID 11229094

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol?
The IUPAC name of (2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol (CID 137323863) is (2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol is CCCCCCCCCCCCC[C@@H](O)COC[C@@H](O)CO.
What is the InChIKey of (2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol?
The InChIKey is XNBDVGMHTKTALN-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)15-22-16-18(21)14-19/h17-21H,2-16H2,1H3/t17-,18+/m1/s1.
What are the key properties of (2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol?
(2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol has a molecular weight of 318.50 g/mol, XLogP of 3.42, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2R)-2-hydroxypentadecoxy]propane-1,2-diol is sourced from PubChem (CID 137323863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).