1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol

C10H20O2 — CID 170849139

IUPAC1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol
SMILESCC(C)C(O)CCC1OC1(C)C
InChIInChI=1S/C10H20O2/c1-7(2)8(11)5-6-9-10(3,4)12-9/h7-9,11H,5-6H2,1-4H3
InChIKeyFUCXQXSRRPDHQR-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds4

About 1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol

1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol (PubChem CID 170849139) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol
PubChem CID170849139
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol
SMILESCC(C)C(O)CCC1OC1(C)C
InChIInChI=1S/C10H20O2/c1-7(2)8(11)5-6-9-10(3,4)12-9/h7-9,11H,5-6H2,1-4H3
InChIKeyFUCXQXSRRPDHQR-UHFFFAOYSA-N
XLogP1.96
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Oxiranepentanol, gamma,3,3-trimethyl-
CID 98467
4-(3,3-Dimethyloxiran-2-yl)butan-2-ol
CID 14938156
2-Methyl-6-(oxiran-2-yl)heptan-2-ol
CID 21492164
2-Ethyl-6-(oxiran-2-yl)hexane-1,3-diol
CID 88519550
3-Ethyl-5-(3-methyloxiran-2-yl)pentan-1-ol
CID 89220696
1-(3-Methyloxetan-2-yl)octan-3-ol
CID 139768436
7-(Oxiran-2-yl)octan-3-ol
CID 174885926
(2R)-1-[(2R,3R)-3-(hydroxymethyl)oxiran-2-yl]-2-methylpentan-2-ol
CID 16220343
cis-(1S,2R)-2-[(2S)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol
CID 71517791
4-(3,3-Dimethyloxiran-2-yl)-2-methylbutan-2-ol
CID 101856100
cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol
CID 102463954
cis-10-Methyl-14,15-epoxytricosan-10-ol
CID 129776360

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol?
The IUPAC name of 1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol (CID 170849139) is 1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol.
What is the SMILES notation for 1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol?
The canonical SMILES for 1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol is CC(C)C(O)CCC1OC1(C)C.
What is the InChIKey of 1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol?
The InChIKey is FUCXQXSRRPDHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)8(11)5-6-9-10(3,4)12-9/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol?
1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyloxiran-2-yl)-4-methylpentan-3-ol is sourced from PubChem (CID 170849139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).