2-dodecyl-2-methylhexadecan-1-ol

C29H60O — CID 138503707

IUPAC2-dodecyl-2-methylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(C)(CO)CCCCCCCCCCCC
InChIInChI=1S/C29H60O/c1-4-6-8-10-12-14-16-17-19-21-23-25-27-29(3,28-30)26-24-22-20-18-15-13-11-9-7-5-2/h30H,4-28H2,1-3H3
InChIKeyLKPSXEOMOLDNTA-UHFFFAOYSA-N
MW424.80 g/mol
LogP10.39
Rot. Bonds25

About 2-dodecyl-2-methylhexadecan-1-ol

2-dodecyl-2-methylhexadecan-1-ol (PubChem CID 138503707) has the molecular formula C29H60O and a molecular weight of 424.80 g/mol. Its IUPAC name is 2-dodecyl-2-methylhexadecan-1-ol.

Molecular Properties

Compound Name2-dodecyl-2-methylhexadecan-1-ol
PubChem CID138503707
Molecular FormulaC29H60O
Molecular Weight424.80 g/mol
Exact Mass424.46
IUPAC Name2-dodecyl-2-methylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(C)(CO)CCCCCCCCCCCC
InChIInChI=1S/C29H60O/c1-4-6-8-10-12-14-16-17-19-21-23-25-27-29(3,28-30)26-24-22-20-18-15-13-11-9-7-5-2/h30H,4-28H2,1-3H3
InChIKeyLKPSXEOMOLDNTA-UHFFFAOYSA-N
XLogP10.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.80
LogP ≤ 510.39
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-methyl-2-octyltridecan-1-ol
CID 138517447
2-methyl-2-pentylnonan-1-ol
CID 138503898
2-methyl-2-propyldecan-1-ol
CID 66025468
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
4-methyl-4-octyldodecan-1-ol
CID 87375187
2,11-diethyl-2,11-dimethyldodecane-1,12-diol
CID 3069683
2,9-diethyl-2,9-dimethyldecane-1,10-diol
CID 3069679
5-butyl-5-methylpentadecane
CID 174700907
2,2-dimethyldecan-1-ol
CID 520069
3-ethyl-3-methyldecane
CID 545661

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-2-methylhexadecan-1-ol?
The IUPAC name of 2-dodecyl-2-methylhexadecan-1-ol (CID 138503707) is 2-dodecyl-2-methylhexadecan-1-ol.
What is the SMILES notation for 2-dodecyl-2-methylhexadecan-1-ol?
The canonical SMILES for 2-dodecyl-2-methylhexadecan-1-ol is CCCCCCCCCCCCCCC(C)(CO)CCCCCCCCCCCC.
What is the InChIKey of 2-dodecyl-2-methylhexadecan-1-ol?
The InChIKey is LKPSXEOMOLDNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60O/c1-4-6-8-10-12-14-16-17-19-21-23-25-27-29(3,28-30)26-24-22-20-18-15-13-11-9-7-5-2/h30H,4-28H2,1-3H3.
What are the key properties of 2-dodecyl-2-methylhexadecan-1-ol?
2-dodecyl-2-methylhexadecan-1-ol has a molecular weight of 424.80 g/mol, XLogP of 10.39, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-2-methylhexadecan-1-ol is sourced from PubChem (CID 138503707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).