2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane

C9H16O2 — CID 157093919

IUPAC2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane
SMILESC=C(OCC1CO1)C(C)(C)C
InChIInChI=1S/C9H16O2/c1-7(9(2,3)4)10-5-8-6-11-8/h8H,1,5-6H2,2-4H3
InChIKeyRHFYCJXLGUNFKO-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

About 2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane

2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane (PubChem CID 157093919) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane
PubChem CID157093919
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane
SMILESC=C(OCC1CO1)C(C)(C)C
InChIInChI=1S/C9H16O2/c1-7(9(2,3)4)10-5-8-6-11-8/h8H,1,5-6H2,2-4H3
InChIKeyRHFYCJXLGUNFKO-UHFFFAOYSA-N
XLogP1.96
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane
CID 59422040
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
2-[[(2E)-4-methylpenta-2,4-dien-2-yl]oxymethyl]oxirane
CID 122500456
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
oxiran-2-ylmethyl 2-(2,2-dimethylpropyl)-2,4,4-trimethylpentanoate
CID 58610629
ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate
CID 141256557
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate
CID 110189647

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane?
The IUPAC name of 2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane (CID 157093919) is 2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane is C=C(OCC1CO1)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane?
The InChIKey is RHFYCJXLGUNFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(9(2,3)4)10-5-8-6-11-8/h8H,1,5-6H2,2-4H3.
What are the key properties of 2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane?
2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane is sourced from PubChem (CID 157093919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).