2,2-dimethyldecan-1-ol

C12H26O — CID 520069

IUPAC2,2-dimethyldecan-1-ol
SMILESCCCCCCCCC(C)(C)CO
InChIInChI=1S/C12H26O/c1-4-5-6-7-8-9-10-12(2,3)11-13/h13H,4-11H2,1-3H3
InChIKeyOSJLCOMCKUOKDD-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.76
Rot. Bonds8

About 2,2-dimethyldecan-1-ol

2,2-dimethyldecan-1-ol (PubChem CID 520069) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,2-dimethyldecan-1-ol.

Molecular Properties

Compound Name2,2-dimethyldecan-1-ol
PubChem CID520069
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,2-dimethyldecan-1-ol
SMILESCCCCCCCCC(C)(C)CO
InChIInChI=1S/C12H26O/c1-4-5-6-7-8-9-10-12(2,3)11-13/h13H,4-11H2,1-3H3
InChIKeyOSJLCOMCKUOKDD-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.76
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

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16,16,21,21-tetramethylhexatriacontane
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CID 150860437
2-methyl-2-pentylnonan-1-ol
CID 138503898
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
3,3-dimethyloctan-1-ol
CID 18704344
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2,2-dioctyldecan-1-ol
CID 87374856

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldecan-1-ol?
The IUPAC name of 2,2-dimethyldecan-1-ol (CID 520069) is 2,2-dimethyldecan-1-ol.
What is the SMILES notation for 2,2-dimethyldecan-1-ol?
The canonical SMILES for 2,2-dimethyldecan-1-ol is CCCCCCCCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyldecan-1-ol?
The InChIKey is OSJLCOMCKUOKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-4-5-6-7-8-9-10-12(2,3)11-13/h13H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyldecan-1-ol?
2,2-dimethyldecan-1-ol has a molecular weight of 186.34 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyldecan-1-ol is sourced from PubChem (CID 520069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).