2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane

C11H22O3 — CID 123446015

IUPAC2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane
SMILESCOC(C)(C)COC(C)(C)CC1CO1
InChIInChI=1S/C11H22O3/c1-10(2,6-9-7-13-9)14-8-11(3,4)12-5/h9H,6-8H2,1-5H3
InChIKeyINPFQCKWNWCNPI-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.00
Rot. Bonds6

About 2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane

2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane (PubChem CID 123446015) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane
PubChem CID123446015
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane
SMILESCOC(C)(C)COC(C)(C)CC1CO1
InChIInChI=1S/C11H22O3/c1-10(2,6-9-7-13-9)14-8-11(3,4)12-5/h9H,6-8H2,1-5H3
InChIKeyINPFQCKWNWCNPI-UHFFFAOYSA-N
XLogP2.00
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxirane, 2-[(1,3-dimethylbutoxy)methyl]-
CID 24691573
2-[(Pentyloxy)methyl]oxirane
CID 138978
2,2-Dimethyl-3-(3-methyloxiran-2-yl)oxirane
CID 18345584
Ethyle hexyl glycidyl ether
CID 54384555
Butyldiglycidylether
CID 129889594
(3-Ethyl-3-glycidyloxymethyl)oxetane
CID 153984103
((1,1-Dimethylpropoxy)methyl)oxirane
CID 142602
Oxirane, ((1,1-dimethylbutoxy)methyl)
CID 142603
3-[2-(2-Fluoro-2-methylpropoxy)ethyl]-2,2-dimethyloxirane
CID 154959359
4-Butoxy-2-methyl-2,3-epoxybutane
CID 12723340
2-[[4-Methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 11970724
2-Ethyl-3-(propoxymethyl)oxirane
CID 12248520

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane?
The IUPAC name of 2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane (CID 123446015) is 2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane.
What is the SMILES notation for 2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane?
The canonical SMILES for 2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane is COC(C)(C)COC(C)(C)CC1CO1.
What is the InChIKey of 2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane?
The InChIKey is INPFQCKWNWCNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2,6-9-7-13-9)14-8-11(3,4)12-5/h9H,6-8H2,1-5H3.
What are the key properties of 2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane?
2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane has a molecular weight of 202.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl]oxirane is sourced from PubChem (CID 123446015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).