3-methyl-1-(oxiran-2-yl)butan-1-ol

C7H14O2 — CID 73110178

IUPAC3-methyl-1-(oxiran-2-yl)butan-1-ol
SMILESCC(C)CC(O)C1CO1
InChIInChI=1S/C7H14O2/c1-5(2)3-6(8)7-4-9-7/h5-8H,3-4H2,1-2H3
InChIKeyMEIFSCYJGYRGFU-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds3

About 3-methyl-1-(oxiran-2-yl)butan-1-ol

3-methyl-1-(oxiran-2-yl)butan-1-ol (PubChem CID 73110178) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-methyl-1-(oxiran-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(oxiran-2-yl)butan-1-ol
PubChem CID73110178
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3-methyl-1-(oxiran-2-yl)butan-1-ol
SMILESCC(C)CC(O)C1CO1
InChIInChI=1S/C7H14O2/c1-5(2)3-6(8)7-4-9-7/h5-8H,3-4H2,1-2H3
InChIKeyMEIFSCYJGYRGFU-UHFFFAOYSA-N
XLogP0.79
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxiran-2-yl)butan-1-ol?
The IUPAC name of 3-methyl-1-(oxiran-2-yl)butan-1-ol (CID 73110178) is 3-methyl-1-(oxiran-2-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-1-(oxiran-2-yl)butan-1-ol?
The canonical SMILES for 3-methyl-1-(oxiran-2-yl)butan-1-ol is CC(C)CC(O)C1CO1.
What is the InChIKey of 3-methyl-1-(oxiran-2-yl)butan-1-ol?
The InChIKey is MEIFSCYJGYRGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-5(2)3-6(8)7-4-9-7/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-methyl-1-(oxiran-2-yl)butan-1-ol?
3-methyl-1-(oxiran-2-yl)butan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxiran-2-yl)butan-1-ol is sourced from PubChem (CID 73110178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).