4-methyl-1-(oxiran-2-yl)pentan-2-ol

C8H16O2 — CID 102308160

IUPAC4-methyl-1-(oxiran-2-yl)pentan-2-ol
SMILESCC(C)CC(O)CC1CO1
InChIInChI=1S/C8H16O2/c1-6(2)3-7(9)4-8-5-10-8/h6-9H,3-5H2,1-2H3
InChIKeyXMKDQUKWRYEEOA-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds4

About 4-methyl-1-(oxiran-2-yl)pentan-2-ol

4-methyl-1-(oxiran-2-yl)pentan-2-ol (PubChem CID 102308160) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-methyl-1-(oxiran-2-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(oxiran-2-yl)pentan-2-ol
PubChem CID102308160
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-methyl-1-(oxiran-2-yl)pentan-2-ol
SMILESCC(C)CC(O)CC1CO1
InChIInChI=1S/C8H16O2/c1-6(2)3-7(9)4-8-5-10-8/h6-9H,3-5H2,1-2H3
InChIKeyXMKDQUKWRYEEOA-UHFFFAOYSA-N
XLogP1.18
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
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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Related Compounds

2-(2,4-dimethylpentyl)oxirane
CID 14618591
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol
CID 132933670
1-chloro-3-(oxiran-2-yl)propan-2-ol
CID 24755102
2-(oxiran-2-yl)ethane-1,1-diol
CID 156784168
(2R)-1-[(2R)-oxiran-2-yl]heptan-2-ol
CID 129387071
[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
CID 153300794
3-methyl-1-(oxiran-2-yl)butan-1-ol
CID 73110178
2-(2-chloropropyl)oxirane
CID 22340851
(4R,6R)-2,8-dimethylnonane-4,6-diol
CID 15640449
4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol
CID 57038917
1-cyclohexyl-6-methylheptane-2,4-diol
CID 173250018
2-(2-methylbutyl)oxirane
CID 534610

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxiran-2-yl)pentan-2-ol?
The IUPAC name of 4-methyl-1-(oxiran-2-yl)pentan-2-ol (CID 102308160) is 4-methyl-1-(oxiran-2-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(oxiran-2-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(oxiran-2-yl)pentan-2-ol is CC(C)CC(O)CC1CO1.
What is the InChIKey of 4-methyl-1-(oxiran-2-yl)pentan-2-ol?
The InChIKey is XMKDQUKWRYEEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)3-7(9)4-8-5-10-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-methyl-1-(oxiran-2-yl)pentan-2-ol?
4-methyl-1-(oxiran-2-yl)pentan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxiran-2-yl)pentan-2-ol is sourced from PubChem (CID 102308160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).