2,3,3-trimethylbutan-2-ol

C7H16O — CID 11676

IUPAC2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)C(C)(C)O
InChIInChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3
InChIKeyOKXVARYIKDXAEO-UHFFFAOYSA-N
MW116.20 g/mol
LogP1.80
Rot. Bonds

About 2,3,3-trimethylbutan-2-ol

2,3,3-trimethylbutan-2-ol (PubChem CID 11676) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name2,3,3-trimethylbutan-2-ol
PubChem CID11676
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)C(C)(C)O
InChIInChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3
InChIKeyOKXVARYIKDXAEO-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethyl-2,2-dimethyl-3-pentanol
CID 3351014
2,2,3-Trimethyl-3-pentanol
CID 23718
3-(1,1-Dimethylethyl)-2,2,4,4-tetramethyl-3-pentanol
CID 142558
3-Pentanol, 2,2,3,4,4-pentamethyl-
CID 6453655
3-Ethyl-2,2,4,4-tetramethylpentan-3-ol
CID 13031505
2,2,3-Trimethylhex-4-yn-3-ol
CID 13268670
4-Fluoro-2,3,3-trimethylbutan-2-ol
CID 88557570
(2S)-1-fluoro-2,3,3-trimethylbutan-2-ol
CID 171604133
(2R)-1-fluoro-2,3,3-trimethylbutan-2-ol
CID 171604149
(3S)-2,2,3-trimethylpentan-3-ol
CID 6999610
(3R)-2,2,3-trimethylhex-4-yn-3-ol
CID 134884628
CID 138963107
CID 138963107

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylbutan-2-ol?
The IUPAC name of 2,3,3-trimethylbutan-2-ol (CID 11676) is 2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for 2,3,3-trimethylbutan-2-ol?
The canonical SMILES for 2,3,3-trimethylbutan-2-ol is CC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3,3-trimethylbutan-2-ol?
The InChIKey is OKXVARYIKDXAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3.
What are the key properties of 2,3,3-trimethylbutan-2-ol?
2,3,3-trimethylbutan-2-ol has a molecular weight of 116.20 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 11676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).