7,7-dimethyldocosan-1-ol

C24H50O — CID 150860437

IUPAC7,7-dimethyldocosan-1-ol
SMILESCCCCCCCCCCCCCCCC(C)(C)CCCCCCO
InChIInChI=1S/C24H50O/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(2,3)22-19-16-17-20-23-25/h25H,4-23H2,1-3H3
InChIKeyKRXCLTGDUGLVOZ-UHFFFAOYSA-N
MW354.66 g/mol
LogP8.44
Rot. Bonds20

About 7,7-dimethyldocosan-1-ol

7,7-dimethyldocosan-1-ol (PubChem CID 150860437) has the molecular formula C24H50O and a molecular weight of 354.66 g/mol. Its IUPAC name is 7,7-dimethyldocosan-1-ol.

Molecular Properties

Compound Name7,7-dimethyldocosan-1-ol
PubChem CID150860437
Molecular FormulaC24H50O
Molecular Weight354.66 g/mol
Exact Mass354.39
IUPAC Name7,7-dimethyldocosan-1-ol
SMILESCCCCCCCCCCCCCCCC(C)(C)CCCCCCO
InChIInChI=1S/C24H50O/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(2,3)22-19-16-17-20-23-25/h25H,4-23H2,1-3H3
InChIKeyKRXCLTGDUGLVOZ-UHFFFAOYSA-N
XLogP8.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.66
LogP ≤ 58.44
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

decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
3,3-dimethyloctan-1-ol
CID 18704344
16,16,21,21-tetramethylhexatriacontane
CID 174880889
4-methyl-4-octyldodecan-1-ol
CID 87375187
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
2,2-dimethyldecan-1-ol
CID 520069
calcium;dodecan-1-ol;hydride
CID 173099575
calcium;hydride;undecan-1-ol
CID 174734394
hexan-1-ol;nonane
CID 175106830
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyldocosan-1-ol?
The IUPAC name of 7,7-dimethyldocosan-1-ol (CID 150860437) is 7,7-dimethyldocosan-1-ol.
What is the SMILES notation for 7,7-dimethyldocosan-1-ol?
The canonical SMILES for 7,7-dimethyldocosan-1-ol is CCCCCCCCCCCCCCCC(C)(C)CCCCCCO.
What is the InChIKey of 7,7-dimethyldocosan-1-ol?
The InChIKey is KRXCLTGDUGLVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(2,3)22-19-16-17-20-23-25/h25H,4-23H2,1-3H3.
What are the key properties of 7,7-dimethyldocosan-1-ol?
7,7-dimethyldocosan-1-ol has a molecular weight of 354.66 g/mol, XLogP of 8.44, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyldocosan-1-ol is sourced from PubChem (CID 150860437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).