1-(2-methyloxiran-2-yl)pentan-1-ol

C8H16O2 — CID 12636242

IUPAC1-(2-methyloxiran-2-yl)pentan-1-ol
SMILESCCCCC(O)C1(C)CO1
InChIInChI=1S/C8H16O2/c1-3-4-5-7(9)8(2)6-10-8/h7,9H,3-6H2,1-2H3
InChIKeyRIMXNGQIZMNEJM-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.33
Rot. Bonds4

About 1-(2-methyloxiran-2-yl)pentan-1-ol

1-(2-methyloxiran-2-yl)pentan-1-ol (PubChem CID 12636242) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-(2-methyloxiran-2-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(2-methyloxiran-2-yl)pentan-1-ol
PubChem CID12636242
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-(2-methyloxiran-2-yl)pentan-1-ol
SMILESCCCCC(O)C1(C)CO1
InChIInChI=1S/C8H16O2/c1-3-4-5-7(9)8(2)6-10-8/h7,9H,3-6H2,1-2H3
InChIKeyRIMXNGQIZMNEJM-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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-Ethyl-3-propyl-2-oxiranemethanol
CID 6551
3-Furanol, tetrahydro-5,5-dimethyl-2-ethyl-
CID 34716
Oxiranemethanol, 3-methyl-3-(4,8,12-trimethyltridecyl)-
CID 10990611
3-Furanol, tetrahydro-2-butyl-5,5-dimethyl-
CID 34727
1,4-Anhydro-3,5-dideoxy-4-ethyl-1-propylpentitol
CID 34728
1,4-Anhydro-3,5-dideoxy-1-ethyl-4-propylpentitol
CID 34729
(2-Tetradecyloxiran-2-YL)methanol
CID 13226348
[3-(5-Methylhexyl)oxiran-2-YL]methanol
CID 14102157
2,5-Anhydro-1,3-dideoxy-2-nonylpentitol
CID 34713
5,5-Dimethyl-2-propyloxolan-3-ol
CID 34721
[(2R,3S)-3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol
CID 15917607
1,2-Epoxy-3-octanol
CID 10290854

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxiran-2-yl)pentan-1-ol?
The IUPAC name of 1-(2-methyloxiran-2-yl)pentan-1-ol (CID 12636242) is 1-(2-methyloxiran-2-yl)pentan-1-ol.
What is the SMILES notation for 1-(2-methyloxiran-2-yl)pentan-1-ol?
The canonical SMILES for 1-(2-methyloxiran-2-yl)pentan-1-ol is CCCCC(O)C1(C)CO1.
What is the InChIKey of 1-(2-methyloxiran-2-yl)pentan-1-ol?
The InChIKey is RIMXNGQIZMNEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-5-7(9)8(2)6-10-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-(2-methyloxiran-2-yl)pentan-1-ol?
1-(2-methyloxiran-2-yl)pentan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxiran-2-yl)pentan-1-ol is sourced from PubChem (CID 12636242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).