2,3,3-trimethyloctan-2-ol

C11H24O — CID 121216443

IUPAC2,3,3-trimethyloctan-2-ol
SMILESCCCCCC(C)(C)C(C)(C)O
InChIInChI=1S/C11H24O/c1-6-7-8-9-10(2,3)11(4,5)12/h12H,6-9H2,1-5H3
InChIKeyOYDIQOJENBZPBB-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.36
Rot. Bonds5

About 2,3,3-trimethyloctan-2-ol

2,3,3-trimethyloctan-2-ol (PubChem CID 121216443) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,3,3-trimethyloctan-2-ol.

Molecular Properties

Compound Name2,3,3-trimethyloctan-2-ol
PubChem CID121216443
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,3,3-trimethyloctan-2-ol
SMILESCCCCCC(C)(C)C(C)(C)O
InChIInChI=1S/C11H24O/c1-6-7-8-9-10(2,3)11(4,5)12/h12H,6-9H2,1-5H3
InChIKeyOYDIQOJENBZPBB-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.36
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

1-Methylcycloheptan-1-ol
CID 77376
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
Tetrahydromyrcenol
CID 86751
2-Octanol, 2-methyl-
CID 69406
3-Methyl-3-octanol
CID 21432
2,7-Dimethyl-2,7-octanediol
CID 140597
2-Nonanol, 2-methyl-
CID 25139
1-Methylcyclooctanol
CID 97178
4-Methylnonan-4-ol
CID 90924
3-Nonanol, 3-methyl-
CID 89428
(6S)-2,6-dimethyloctan-2-ol
CID 445183

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyloctan-2-ol?
The IUPAC name of 2,3,3-trimethyloctan-2-ol (CID 121216443) is 2,3,3-trimethyloctan-2-ol.
What is the SMILES notation for 2,3,3-trimethyloctan-2-ol?
The canonical SMILES for 2,3,3-trimethyloctan-2-ol is CCCCCC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3,3-trimethyloctan-2-ol?
The InChIKey is OYDIQOJENBZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-7-8-9-10(2,3)11(4,5)12/h12H,6-9H2,1-5H3.
What are the key properties of 2,3,3-trimethyloctan-2-ol?
2,3,3-trimethyloctan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyloctan-2-ol is sourced from PubChem (CID 121216443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).