2,3,4-trimethylpentan-3-ol

C8H18O — CID 520484

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

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

2,3,4-trimethylpentan-3-ol (PubChem CID 520484) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2,3,4-trimethylpentan-3-ol.

Molecular Properties

Compound Name2,3,4-trimethylpentan-3-ol
PubChem CID520484
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2,3,4-trimethylpentan-3-ol
SMILESCC(C)C(C)(O)C(C)C
InChIInChI=1S/C8H18O/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3
InChIKeyPLSMHHUFDLYURK-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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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpentan-3-ol?
The IUPAC name of 2,3,4-trimethylpentan-3-ol (CID 520484) is 2,3,4-trimethylpentan-3-ol.
What is the SMILES notation for 2,3,4-trimethylpentan-3-ol?
The canonical SMILES for 2,3,4-trimethylpentan-3-ol is CC(C)C(C)(O)C(C)C.
What is the InChIKey of 2,3,4-trimethylpentan-3-ol?
The InChIKey is PLSMHHUFDLYURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3.
What are the key properties of 2,3,4-trimethylpentan-3-ol?
2,3,4-trimethylpentan-3-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-3-ol is sourced from PubChem (CID 520484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).