3,3-dimethyloctan-1-ol

C10H22O — CID 18704344

IUPAC3,3-dimethyloctan-1-ol
SMILESCCCCCC(C)(C)CCO
InChIInChI=1S/C10H22O/c1-4-5-6-7-10(2,3)8-9-11/h11H,4-9H2,1-3H3
InChIKeySTHNHMWRQONDAI-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.98
Rot. Bonds6

About 3,3-dimethyloctan-1-ol

3,3-dimethyloctan-1-ol (PubChem CID 18704344) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3,3-dimethyloctan-1-ol.

Molecular Properties

Compound Name3,3-dimethyloctan-1-ol
PubChem CID18704344
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3,3-dimethyloctan-1-ol
SMILESCCCCCC(C)(C)CCO
InChIInChI=1S/C10H22O/c1-4-5-6-7-10(2,3)8-9-11/h11H,4-9H2,1-3H3
InChIKeySTHNHMWRQONDAI-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.98
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

7,7-dimethyldocosan-1-ol
CID 150860437
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
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CID 174880889
2,2-dimethyldecan-1-ol
CID 520069
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
4-methyl-4-octyldodecan-1-ol
CID 87375187
6-amino-3,3-dimethylhexan-1-ol
CID 134232147
3-amino-3-methyloctan-1-ol
CID 80558733
3-methyl-3-(methylamino)nonan-1-ol
CID 65235279
4,4-dimethyltridecan-1-amine
CID 172686024
3,3-dioctadecylpentane-1,5-diol
CID 59698466
3-heptadecyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 87979521

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyloctan-1-ol?
The IUPAC name of 3,3-dimethyloctan-1-ol (CID 18704344) is 3,3-dimethyloctan-1-ol.
What is the SMILES notation for 3,3-dimethyloctan-1-ol?
The canonical SMILES for 3,3-dimethyloctan-1-ol is CCCCCC(C)(C)CCO.
What is the InChIKey of 3,3-dimethyloctan-1-ol?
The InChIKey is STHNHMWRQONDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-4-5-6-7-10(2,3)8-9-11/h11H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyloctan-1-ol?
3,3-dimethyloctan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyloctan-1-ol is sourced from PubChem (CID 18704344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).