2,3,4-trimethylpentan-2-ol

C8H18O — CID 18280

IUPAC2,3,4-trimethylpentan-2-ol
SMILESCC(C)C(C)C(C)(C)O
InChIInChI=1S/C8H18O/c1-6(2)7(3)8(4,5)9/h6-7,9H,1-5H3
InChIKeyFTPXXARYDFWPGE-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.05
Rot. Bonds2

About 2,3,4-trimethylpentan-2-ol

2,3,4-trimethylpentan-2-ol (PubChem CID 18280) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2,3,4-trimethylpentan-2-ol.

Molecular Properties

Compound Name2,3,4-trimethylpentan-2-ol
PubChem CID18280
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2,3,4-trimethylpentan-2-ol
SMILESCC(C)C(C)C(C)(C)O
InChIInChI=1S/C8H18O/c1-6(2)7(3)8(4,5)9/h6-7,9H,1-5H3
InChIKeyFTPXXARYDFWPGE-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4-Trimethyl-3-pentanol
CID 520484
2,3-Dimethyl-2-hexanol
CID 137270
2,3-Dimethyl-2-pentanol
CID 21019
3-Hexanol, 3-methyl-
CID 11708
3-Ethyl-2-methyl-3-pentanol
CID 136390
3,5-Dimethyl-3-hexanol
CID 98266
2,4-Dimethyl-2-pentanol
CID 12235
2,5-Dimethylhexan-2-ol
CID 19506
3,4-Dimethyl-3-hexanol
CID 140548
4-Ethyl-4-heptanol
CID 69013
2,3-Dimethylpentan-3-ol
CID 11685
3-Ethylhexan-3-ol
CID 69008

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpentan-2-ol?
The IUPAC name of 2,3,4-trimethylpentan-2-ol (CID 18280) is 2,3,4-trimethylpentan-2-ol.
What is the SMILES notation for 2,3,4-trimethylpentan-2-ol?
The canonical SMILES for 2,3,4-trimethylpentan-2-ol is CC(C)C(C)C(C)(C)O.
What is the InChIKey of 2,3,4-trimethylpentan-2-ol?
The InChIKey is FTPXXARYDFWPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-6(2)7(3)8(4,5)9/h6-7,9H,1-5H3.
What are the key properties of 2,3,4-trimethylpentan-2-ol?
2,3,4-trimethylpentan-2-ol has a molecular weight of 130.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpentan-2-ol is sourced from PubChem (CID 18280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).