2-butyltetradecane-1,2-diol

C18H38O2 — CID 88924076

IUPAC2-butyltetradecane-1,2-diol
SMILESCCCCCCCCCCCCC(O)(CO)CCCC
InChIInChI=1S/C18H38O2/c1-3-5-7-8-9-10-11-12-13-14-16-18(20,17-19)15-6-4-2/h19-20H,3-17H2,1-2H3
InChIKeyVLGWRKBYSYEHGI-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.21
Rot. Bonds15

About 2-butyltetradecane-1,2-diol

2-butyltetradecane-1,2-diol (PubChem CID 88924076) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 2-butyltetradecane-1,2-diol.

Molecular Properties

Compound Name2-butyltetradecane-1,2-diol
PubChem CID88924076
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name2-butyltetradecane-1,2-diol
SMILESCCCCCCCCCCCCC(O)(CO)CCCC
InChIInChI=1S/C18H38O2/c1-3-5-7-8-9-10-11-12-13-14-16-18(20,17-19)15-6-4-2/h19-20H,3-17H2,1-2H3
InChIKeyVLGWRKBYSYEHGI-UHFFFAOYSA-N
XLogP5.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propyloctane-1,2-diol
CID 88923937
2-ethyltridecane-1,2-diol
CID 88923996
2-heptylhexane-1,2,6-triol
CID 22481106
(2S)-2-(chloromethyl)tridecane-1,2-diol
CID 11265568
(2S)-2-(chloromethyl)hexadecane-1,2-diol
CID 13226351
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
3-butyldecane-1,3-diol
CID 88924042
11-decyldodecane-1,1,11,12-tetrol
CID 91079492
2-[[2-hydroxy-2-(hydroxymethyl)icosoxy]methyl]icosane-1,2-diol
CID 87690691
4-decyltetradecane-1,4-diol
CID 170650453

Frequently Asked Questions

What is the IUPAC name of 2-butyltetradecane-1,2-diol?
The IUPAC name of 2-butyltetradecane-1,2-diol (CID 88924076) is 2-butyltetradecane-1,2-diol.
What is the SMILES notation for 2-butyltetradecane-1,2-diol?
The canonical SMILES for 2-butyltetradecane-1,2-diol is CCCCCCCCCCCCC(O)(CO)CCCC.
What is the InChIKey of 2-butyltetradecane-1,2-diol?
The InChIKey is VLGWRKBYSYEHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-3-5-7-8-9-10-11-12-13-14-16-18(20,17-19)15-6-4-2/h19-20H,3-17H2,1-2H3.
What are the key properties of 2-butyltetradecane-1,2-diol?
2-butyltetradecane-1,2-diol has a molecular weight of 286.50 g/mol, XLogP of 5.21, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyltetradecane-1,2-diol is sourced from PubChem (CID 88924076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).