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

C9H16O2 — CID 158616685

IUPAC2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane
SMILESCC(C)C=COCC1OC1C
InChIInChI=1S/C9H16O2/c1-7(2)4-5-10-6-9-8(3)11-9/h4-5,7-9H,6H2,1-3H3
InChIKeyHXMBZAWCDSIGTE-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds4

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

2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane (PubChem CID 158616685) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane
PubChem CID158616685
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane
SMILESCC(C)C=COCC1OC1C
InChIInChI=1S/C9H16O2/c1-7(2)4-5-10-6-9-8(3)11-9/h4-5,7-9H,6H2,1-3H3
InChIKeyHXMBZAWCDSIGTE-UHFFFAOYSA-N
XLogP1.96
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
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'}

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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-Methylbut-3-enoxymethyl)oxirane
CID 56977857
2-(3-Methylbuta-1,3-dienoxymethyl)oxirane
CID 57211047
2-[[(2E,5Z)-4,4-dimethylhepta-2,5-dien-2-yl]oxymethyl]oxirane
CID 129163849
2-[[(3E,5Z)-2-methylhepta-3,5-dien-3-yl]oxymethyl]oxirane
CID 137515490
2-(4-Prop-1-enoxybutoxymethyl)oxirane
CID 139917764
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-methylbut-1-enoxymethyl)oxirane?
The IUPAC name of 2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane (CID 158616685) is 2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane?
The canonical SMILES for 2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane is CC(C)C=COCC1OC1C.
What is the InChIKey of 2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane?
The InChIKey is HXMBZAWCDSIGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)4-5-10-6-9-8(3)11-9/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane?
2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbut-1-enoxymethyl)oxirane is sourced from PubChem (CID 158616685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).