2-hexadecylbutane-1,2,3,4-tetrol

C20H42O4 — CID 141012680

IUPAC2-hexadecylbutane-1,2,3,4-tetrol
SMILESCCCCCCCCCCCCCCCCC(O)(CO)C(O)CO
InChIInChI=1S/C20H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24,18-22)19(23)17-21/h19,21-24H,2-18H2,1H3
InChIKeyFJHIBMWWRNLWGL-UHFFFAOYSA-N
MW346.55 g/mol
LogP3.93
Rot. Bonds18

About 2-hexadecylbutane-1,2,3,4-tetrol

2-hexadecylbutane-1,2,3,4-tetrol (PubChem CID 141012680) has the molecular formula C20H42O4 and a molecular weight of 346.55 g/mol. Its IUPAC name is 2-hexadecylbutane-1,2,3,4-tetrol.

Molecular Properties

Compound Name2-hexadecylbutane-1,2,3,4-tetrol
PubChem CID141012680
Molecular FormulaC20H42O4
Molecular Weight346.55 g/mol
Exact Mass346.31
IUPAC Name2-hexadecylbutane-1,2,3,4-tetrol
SMILESCCCCCCCCCCCCCCCCC(O)(CO)C(O)CO
InChIInChI=1S/C20H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24,18-22)19(23)17-21/h19,21-24H,2-18H2,1H3
InChIKeyFJHIBMWWRNLWGL-UHFFFAOYSA-N
XLogP3.93
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.55
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-hex-5-enylnonadecane-1,2,3-triol
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8-pentylhexadecane-8,9-diol
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3-decyltridecane-2,3-diol
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Frequently Asked Questions

What is the IUPAC name of 2-hexadecylbutane-1,2,3,4-tetrol?
The IUPAC name of 2-hexadecylbutane-1,2,3,4-tetrol (CID 141012680) is 2-hexadecylbutane-1,2,3,4-tetrol.
What is the SMILES notation for 2-hexadecylbutane-1,2,3,4-tetrol?
The canonical SMILES for 2-hexadecylbutane-1,2,3,4-tetrol is CCCCCCCCCCCCCCCCC(O)(CO)C(O)CO.
What is the InChIKey of 2-hexadecylbutane-1,2,3,4-tetrol?
The InChIKey is FJHIBMWWRNLWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24,18-22)19(23)17-21/h19,21-24H,2-18H2,1H3.
What are the key properties of 2-hexadecylbutane-1,2,3,4-tetrol?
2-hexadecylbutane-1,2,3,4-tetrol has a molecular weight of 346.55 g/mol, XLogP of 3.93, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecylbutane-1,2,3,4-tetrol is sourced from PubChem (CID 141012680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).