4,4-dimethyldecan-2-ol

C12H26O — CID 19931322

IUPAC4,4-dimethyldecan-2-ol
SMILESCCCCCCC(C)(C)CC(C)O
InChIInChI=1S/C12H26O/c1-5-6-7-8-9-12(3,4)10-11(2)13/h11,13H,5-10H2,1-4H3
InChIKeyUKRANKUNKYENHP-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.75
Rot. Bonds7

About 4,4-dimethyldecan-2-ol

4,4-dimethyldecan-2-ol (PubChem CID 19931322) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 4,4-dimethyldecan-2-ol.

Molecular Properties

Compound Name4,4-dimethyldecan-2-ol
PubChem CID19931322
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name4,4-dimethyldecan-2-ol
SMILESCCCCCCC(C)(C)CC(C)O
InChIInChI=1S/C12H26O/c1-5-6-7-8-9-12(3,4)10-11(2)13/h11,13H,5-10H2,1-4H3
InChIKeyUKRANKUNKYENHP-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.75
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

4,4-dimethyldodecan-2-amine
CID 64715723
4,4,8,8-tetramethylnonan-2-ol
CID 122384584
4,6,6-trimethyldodecane
CID 123621829
16,16,21,21-tetramethylhexatriacontane
CID 174880889
N-ethyl-4,4-dimethyltetradecan-2-amine
CID 64718292
pentane;7,7,9-trimethylpentadecane
CID 161309819
N-ethyl-4,4-dimethyldodecan-2-amine
CID 64717862
6,6,8-trimethyltridecane
CID 123736183
4-methyl-4-(2-methylheptan-2-ylperoxy)pentan-2-ol
CID 87824096
3,3-dimethyldecan-2-ol
CID 87975868
3,3-dimethylnonan-2-ol
CID 19931299
3,7,7-trimethyltridecane
CID 123996242

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyldecan-2-ol?
The IUPAC name of 4,4-dimethyldecan-2-ol (CID 19931322) is 4,4-dimethyldecan-2-ol.
What is the SMILES notation for 4,4-dimethyldecan-2-ol?
The canonical SMILES for 4,4-dimethyldecan-2-ol is CCCCCCC(C)(C)CC(C)O.
What is the InChIKey of 4,4-dimethyldecan-2-ol?
The InChIKey is UKRANKUNKYENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-5-6-7-8-9-12(3,4)10-11(2)13/h11,13H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyldecan-2-ol?
4,4-dimethyldecan-2-ol has a molecular weight of 186.34 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyldecan-2-ol is sourced from PubChem (CID 19931322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).