3,3-dimethyldecan-2-ol

C12H26O — CID 87975868

IUPAC3,3-dimethyldecan-2-ol
SMILESCCCCCCCC(C)(C)C(C)O
InChIInChI=1S/C12H26O/c1-5-6-7-8-9-10-12(3,4)11(2)13/h11,13H,5-10H2,1-4H3
InChIKeyPXFRJCXRRHDHPL-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.75
Rot. Bonds7

About 3,3-dimethyldecan-2-ol

3,3-dimethyldecan-2-ol (PubChem CID 87975868) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3,3-dimethyldecan-2-ol.

Molecular Properties

Compound Name3,3-dimethyldecan-2-ol
PubChem CID87975868
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3,3-dimethyldecan-2-ol
SMILESCCCCCCCC(C)(C)C(C)O
InChIInChI=1S/C12H26O/c1-5-6-7-8-9-10-12(3,4)11(2)13/h11,13H,5-10H2,1-4H3
InChIKeyPXFRJCXRRHDHPL-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

3,3-dimethylnonan-2-ol
CID 19931299
2,3,3-trimethyloctadecane
CID 90966938
4,4-dimethylhexadecan-3-ol
CID 168719984
3,3-dihexylpentane-2,4-diol
CID 21414890
3-chloro-3-methylpentadecan-2-ol
CID 87770465
3-methyl-3-propyloctan-2-ol
CID 20501793
3-decyltridecane-2,3-diol
CID 175905550
ethane;2,3,3-trimethyloctane
CID 142049944
4,5,5-trimethyldodecane
CID 123360574
3,3-dimethylpentane-1,4-diol
CID 12931500
2,2,4,4-tetramethyl-3-propan-2-ylnonane
CID 21202923
4,4-dimethyldecan-2-ol
CID 19931322

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyldecan-2-ol?
The IUPAC name of 3,3-dimethyldecan-2-ol (CID 87975868) is 3,3-dimethyldecan-2-ol.
What is the SMILES notation for 3,3-dimethyldecan-2-ol?
The canonical SMILES for 3,3-dimethyldecan-2-ol is CCCCCCCC(C)(C)C(C)O.
What is the InChIKey of 3,3-dimethyldecan-2-ol?
The InChIKey is PXFRJCXRRHDHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-5-6-7-8-9-10-12(3,4)11(2)13/h11,13H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethyldecan-2-ol?
3,3-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 3,3-dimethyldecan-2-ol is sourced from PubChem (CID 87975868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).