4-decyltetradecane-1,1-diol

C24H50O2 — CID 171774122

IUPAC4-decyltetradecane-1,1-diol
SMILESCCCCCCCCCCC(CCCCCCCCCC)CCC(O)O
InChIInChI=1S/C24H50O2/c1-3-5-7-9-11-13-15-17-19-23(21-22-24(25)26)20-18-16-14-12-10-8-6-4-2/h23-26H,3-22H2,1-2H3
InChIKeyIFEFZKVIOJWFTF-UHFFFAOYSA-N
MW370.66 g/mol
LogP7.76
Rot. Bonds21

About 4-decyltetradecane-1,1-diol

4-decyltetradecane-1,1-diol (PubChem CID 171774122) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 4-decyltetradecane-1,1-diol.

Molecular Properties

Compound Name4-decyltetradecane-1,1-diol
PubChem CID171774122
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name4-decyltetradecane-1,1-diol
SMILESCCCCCCCCCCC(CCCCCCCCCC)CCC(O)O
InChIInChI=1S/C24H50O2/c1-3-5-7-9-11-13-15-17-19-23(21-22-24(25)26)20-18-16-14-12-10-8-6-4-2/h23-26H,3-22H2,1-2H3
InChIKeyIFEFZKVIOJWFTF-UHFFFAOYSA-N
XLogP7.76
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 ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9-hexyl-12-octyldocosane
CID 154203078
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
nonacosane-1,1-diol
CID 23066924
23-pentyloctatetracontane
CID 90998666
7-pentyltetracosane
CID 91021095
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478

Frequently Asked Questions

What is the IUPAC name of 4-decyltetradecane-1,1-diol?
The IUPAC name of 4-decyltetradecane-1,1-diol (CID 171774122) is 4-decyltetradecane-1,1-diol.
What is the SMILES notation for 4-decyltetradecane-1,1-diol?
The canonical SMILES for 4-decyltetradecane-1,1-diol is CCCCCCCCCCC(CCCCCCCCCC)CCC(O)O.
What is the InChIKey of 4-decyltetradecane-1,1-diol?
The InChIKey is IFEFZKVIOJWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-3-5-7-9-11-13-15-17-19-23(21-22-24(25)26)20-18-16-14-12-10-8-6-4-2/h23-26H,3-22H2,1-2H3.
What are the key properties of 4-decyltetradecane-1,1-diol?
4-decyltetradecane-1,1-diol has a molecular weight of 370.66 g/mol, XLogP of 7.76, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyltetradecane-1,1-diol is sourced from PubChem (CID 171774122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).