4-decyltetradecane-1,4-diol

C24H50O2 — CID 170650453

IUPAC4-decyltetradecane-1,4-diol
SMILESCCCCCCCCCCC(O)(CCCO)CCCCCCCCCC
InChIInChI=1S/C24H50O2/c1-3-5-7-9-11-13-15-17-20-24(26,22-19-23-25)21-18-16-14-12-10-8-6-4-2/h25-26H,3-23H2,1-2H3
InChIKeyOCJPUGAIRMNLSO-UHFFFAOYSA-N
MW370.66 g/mol
LogP7.55
Rot. Bonds21

About 4-decyltetradecane-1,4-diol

4-decyltetradecane-1,4-diol (PubChem CID 170650453) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 4-decyltetradecane-1,4-diol.

Molecular Properties

Compound Name4-decyltetradecane-1,4-diol
PubChem CID170650453
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name4-decyltetradecane-1,4-diol
SMILESCCCCCCCCCCC(O)(CCCO)CCCCCCCCCC
InChIInChI=1S/C24H50O2/c1-3-5-7-9-11-13-15-17-20-24(26,22-19-23-25)21-18-16-14-12-10-8-6-4-2/h25-26H,3-23H2,1-2H3
InChIKeyOCJPUGAIRMNLSO-UHFFFAOYSA-N
XLogP7.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 57.55
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-heptylhexane-1,2,6-triol
CID 22481106
12-propylpentadecane-1,12-diol
CID 146590856
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
hexane-1,6-diol;hexane-1,1,1-triol
CID 157140368
4,4-dibutyldodecan-1-ol
CID 87374441
5-ethylnonane-1,5-diol
CID 87121663
3-propyloctane-1,3-diol
CID 88923981
2-butyltetradecane-1,2-diol
CID 88924076
calcium;hydride;undecan-1-ol
CID 174734394

Frequently Asked Questions

What is the IUPAC name of 4-decyltetradecane-1,4-diol?
The IUPAC name of 4-decyltetradecane-1,4-diol (CID 170650453) is 4-decyltetradecane-1,4-diol.
What is the SMILES notation for 4-decyltetradecane-1,4-diol?
The canonical SMILES for 4-decyltetradecane-1,4-diol is CCCCCCCCCCC(O)(CCCO)CCCCCCCCCC.
What is the InChIKey of 4-decyltetradecane-1,4-diol?
The InChIKey is OCJPUGAIRMNLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-3-5-7-9-11-13-15-17-20-24(26,22-19-23-25)21-18-16-14-12-10-8-6-4-2/h25-26H,3-23H2,1-2H3.
What are the key properties of 4-decyltetradecane-1,4-diol?
4-decyltetradecane-1,4-diol has a molecular weight of 370.66 g/mol, XLogP of 7.55, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyltetradecane-1,4-diol is sourced from PubChem (CID 170650453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).