2,8-dimethyldecan-2-ol

C12H26O — CID 122367233

IUPAC2,8-dimethyldecan-2-ol
SMILESCCC(C)CCCCCC(C)(C)O
InChIInChI=1S/C12H26O/c1-5-11(2)9-7-6-8-10-12(3,4)13/h11,13H,5-10H2,1-4H3
InChIKeyFCEKKCNTYNUVPQ-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.75
Rot. Bonds7

About 2,8-dimethyldecan-2-ol

2,8-dimethyldecan-2-ol (PubChem CID 122367233) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,8-dimethyldecan-2-ol.

Molecular Properties

Compound Name2,8-dimethyldecan-2-ol
PubChem CID122367233
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,8-dimethyldecan-2-ol
SMILESCCC(C)CCCCCC(C)(C)O
InChIInChI=1S/C12H26O/c1-5-11(2)9-7-6-8-10-12(3,4)13/h11,13H,5-10H2,1-4H3
InChIKeyFCEKKCNTYNUVPQ-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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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyldecan-2-ol?
The IUPAC name of 2,8-dimethyldecan-2-ol (CID 122367233) is 2,8-dimethyldecan-2-ol.
What is the SMILES notation for 2,8-dimethyldecan-2-ol?
The canonical SMILES for 2,8-dimethyldecan-2-ol is CCC(C)CCCCCC(C)(C)O.
What is the InChIKey of 2,8-dimethyldecan-2-ol?
The InChIKey is FCEKKCNTYNUVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-5-11(2)9-7-6-8-10-12(3,4)13/h11,13H,5-10H2,1-4H3.
What are the key properties of 2,8-dimethyldecan-2-ol?
2,8-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 2,8-dimethyldecan-2-ol is sourced from PubChem (CID 122367233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).