9,9-dimethyldecan-3-ol

C12H26O — CID 156689502

IUPAC9,9-dimethyldecan-3-ol
SMILESCCC(O)CCCCCC(C)(C)C
InChIInChI=1S/C12H26O/c1-5-11(13)9-7-6-8-10-12(2,3)4/h11,13H,5-10H2,1-4H3
InChIKeyMWTYWFJWZDOKAT-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.75
Rot. Bonds6

About 9,9-dimethyldecan-3-ol

9,9-dimethyldecan-3-ol (PubChem CID 156689502) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 9,9-dimethyldecan-3-ol.

Molecular Properties

Compound Name9,9-dimethyldecan-3-ol
PubChem CID156689502
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name9,9-dimethyldecan-3-ol
SMILESCCC(O)CCCCCC(C)(C)C
InChIInChI=1S/C12H26O/c1-5-11(13)9-7-6-8-10-12(2,3)4/h11,13H,5-10H2,1-4H3
InChIKeyMWTYWFJWZDOKAT-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

9,9-dimethyldecan-4-ol
CID 18798749
2,2-dimethyldodecan-6-ol
CID 175569881
1-methoxy-8,8-dimethylnonan-2-ol
CID 147170172
icosan-3-ol
CID 14940768
1,1-difluoro-6,6-dimethylheptane
CID 162546967
2,2,13-trimethylpentadecane
CID 150334228
nonane-3,7-diol
CID 22141483
icosane-3,10-diol
CID 141217833
undecane-1,9-diol
CID 56629636
2,2,8,8-tetramethylnonan-4-ol
CID 19931283
decane-1,8-diol
CID 160857478
dodecan-3-ol;propane
CID 159624658

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyldecan-3-ol?
The IUPAC name of 9,9-dimethyldecan-3-ol (CID 156689502) is 9,9-dimethyldecan-3-ol.
What is the SMILES notation for 9,9-dimethyldecan-3-ol?
The canonical SMILES for 9,9-dimethyldecan-3-ol is CCC(O)CCCCCC(C)(C)C.
What is the InChIKey of 9,9-dimethyldecan-3-ol?
The InChIKey is MWTYWFJWZDOKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-5-11(13)9-7-6-8-10-12(2,3)4/h11,13H,5-10H2,1-4H3.
What are the key properties of 9,9-dimethyldecan-3-ol?
9,9-dimethyldecan-3-ol has a molecular weight of 186.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyldecan-3-ol is sourced from PubChem (CID 156689502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).