2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol

C14H32O2 — CID 87770279

IUPAC2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol
SMILESCCC(C)(O)C(C)C.CCC(O)(CC)CC
InChIInChI=1S/2C7H16O/c1-5-7(4,8)6(2)3;1-4-7(8,5-2)6-3/h6,8H,5H2,1-4H3;8H,4-6H2,1-3H3
InChIKeyCISXNBZGLJHFAQ-UHFFFAOYSA-N
MW232.41 g/mol
LogP3.75
Rot. Bonds5

About 2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol

2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol (PubChem CID 87770279) has the molecular formula C14H32O2 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol.

Molecular Properties

Compound Name2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol
PubChem CID87770279
Molecular FormulaC14H32O2
Molecular Weight232.41 g/mol
Exact Mass232.24
IUPAC Name2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol
SMILESCCC(C)(O)C(C)C.CCC(O)(CC)CC
InChIInChI=1S/2C7H16O/c1-5-7(4,8)6(2)3;1-4-7(8,5-2)6-3/h6,8H,5H2,1-4H3;8H,4-6H2,1-3H3
InChIKeyCISXNBZGLJHFAQ-UHFFFAOYSA-N
XLogP3.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol?
The IUPAC name of 2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol (CID 87770279) is 2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol.
What is the SMILES notation for 2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol?
The canonical SMILES for 2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol is CCC(C)(O)C(C)C.CCC(O)(CC)CC.
What is the InChIKey of 2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol?
The InChIKey is CISXNBZGLJHFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16O/c1-5-7(4,8)6(2)3;1-4-7(8,5-2)6-3/h6,8H,5H2,1-4H3;8H,4-6H2,1-3H3.
What are the key properties of 2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol?
2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol has a molecular weight of 232.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentan-3-ol;3-ethylpentan-3-ol is sourced from PubChem (CID 87770279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).