2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane

C10H18O2 — CID 162174643

IUPAC2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane
SMILESCCC(C)C=COCC1OC1C
InChIInChI=1S/C10H18O2/c1-4-8(2)5-6-11-7-10-9(3)12-10/h5-6,8-10H,4,7H2,1-3H3
InChIKeyZOFPPURYSGVCBI-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds5

About 2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane

2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane (PubChem CID 162174643) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane
PubChem CID162174643
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane
SMILESCCC(C)C=COCC1OC1C
InChIInChI=1S/C10H18O2/c1-4-8(2)5-6-11-7-10-9(3)12-10/h5-6,8-10H,4,7H2,1-3H3
InChIKeyZOFPPURYSGVCBI-UHFFFAOYSA-N
XLogP2.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane 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-[[(E)-hex-1-enoxy]methyl]oxirane
CID 21225218
2,2-Dimethyl-3-(prop-1-enoxymethyl)oxirane
CID 54050941
2-(Pent-1-enoxymethyl)oxirane
CID 54343228
2-(2-Methylhex-4-enoxymethyl)oxirane
CID 88975741
2-[(6-Methylcyclohexa-1,3-dien-1-yl)oxymethyl]oxirane
CID 89342456
2-[(2-Propan-2-ylcyclohexa-1,3-dien-1-yl)oxymethyl]oxirane
CID 90346468
2-(6-Methylhept-1-enoxymethyl)oxirane
CID 117761381
2-Ethyl-2-(hex-1-enoxymethyl)oxirane
CID 118977542
2,3-Dimethyl-2-(prop-1-enoxymethyl)oxirane
CID 140365265
2-(Hex-1-enoxymethyl)oxirane
CID 140390282
ethane;2-[[(2E)-hepta-2,6-dien-3-yl]oxymethyl]oxirane
CID 142280999
Ethane;2-(hexa-1,5-dien-2-yloxymethyl)oxirane
CID 144355674

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane?
The IUPAC name of 2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane (CID 162174643) is 2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane?
The canonical SMILES for 2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane is CCC(C)C=COCC1OC1C.
What is the InChIKey of 2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane?
The InChIKey is ZOFPPURYSGVCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-8(2)5-6-11-7-10-9(3)12-10/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane?
2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylpent-1-enoxymethyl)oxirane is sourced from PubChem (CID 162174643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).