2,2-dioctyldecan-1-ol

C26H54O — CID 87374856

IUPAC2,2-dioctyldecan-1-ol
SMILESCCCCCCCCC(CO)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C26H54O/c1-4-7-10-13-16-19-22-26(25-27,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h27H,4-25H2,1-3H3
InChIKeyUSXHMGNXFYKDOG-UHFFFAOYSA-N
MW382.72 g/mol
LogP9.22
Rot. Bonds22

About 2,2-dioctyldecan-1-ol

2,2-dioctyldecan-1-ol (PubChem CID 87374856) has the molecular formula C26H54O and a molecular weight of 382.72 g/mol. Its IUPAC name is 2,2-dioctyldecan-1-ol.

Molecular Properties

Compound Name2,2-dioctyldecan-1-ol
PubChem CID87374856
Molecular FormulaC26H54O
Molecular Weight382.72 g/mol
Exact Mass382.42
IUPAC Name2,2-dioctyldecan-1-ol
SMILESCCCCCCCCC(CO)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C26H54O/c1-4-7-10-13-16-19-22-26(25-27,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h27H,4-25H2,1-3H3
InChIKeyUSXHMGNXFYKDOG-UHFFFAOYSA-N
XLogP9.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-di(undecyl)tridecan-1-ol
CID 176610401
2,6-didodecyl-2,6-bis(hydroxymethyl)heptane-1,7-diol
CID 142452979
2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid
CID 87965517
2-pentyl-2-propylpropane-1,3-diol
CID 18188395
2-(aminomethyl)-2-tetradecylpropane-1,3-diol
CID 139977748
2-butyl-2-propylheptane-1,7-diol
CID 151269549
8-hexyl-8-pentylhexadecane
CID 521602
6,6-dipentylpentadecane
CID 152650171
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
9,9-dioctyloctadecane
CID 19690418
3-heptadecyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 87979521
3,3-dioctadecylpentane-1,5-diol
CID 59698466

Frequently Asked Questions

What is the IUPAC name of 2,2-dioctyldecan-1-ol?
The IUPAC name of 2,2-dioctyldecan-1-ol (CID 87374856) is 2,2-dioctyldecan-1-ol.
What is the SMILES notation for 2,2-dioctyldecan-1-ol?
The canonical SMILES for 2,2-dioctyldecan-1-ol is CCCCCCCCC(CO)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 2,2-dioctyldecan-1-ol?
The InChIKey is USXHMGNXFYKDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O/c1-4-7-10-13-16-19-22-26(25-27,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h27H,4-25H2,1-3H3.
What are the key properties of 2,2-dioctyldecan-1-ol?
2,2-dioctyldecan-1-ol has a molecular weight of 382.72 g/mol, XLogP of 9.22, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioctyldecan-1-ol is sourced from PubChem (CID 87374856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).