2-(heptoxymethyl)-2-methyloxirane

C11H22O2 — CID 23468444

IUPAC2-(heptoxymethyl)-2-methyloxirane
SMILESCCCCCCCOCC1(C)CO1
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-12-9-11(2)10-13-11/h3-10H2,1-2H3
InChIKeyIMOHIGPGZFPFNG-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.76
Rot. Bonds8

About 2-(heptoxymethyl)-2-methyloxirane

2-(heptoxymethyl)-2-methyloxirane (PubChem CID 23468444) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(heptoxymethyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(heptoxymethyl)-2-methyloxirane
PubChem CID23468444
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(heptoxymethyl)-2-methyloxirane
SMILESCCCCCCCOCC1(C)CO1
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-12-9-11(2)10-13-11/h3-10H2,1-2H3
InChIKeyIMOHIGPGZFPFNG-UHFFFAOYSA-N
XLogP2.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(pentoxymethyl)oxirane
CID 23468435
2-(18-bromooctadecoxymethyl)-2-methyloxirane
CID 88708364
2-methyl-2-(2-propoxyethoxymethyl)oxirane
CID 59969166
2-ethyl-2-(pentoxymethyl)oxirane
CID 175272584
3,3-bis(octoxymethyl)oxetane
CID 58963686
2,2-dimethyl-5-(octadec-12-enoxymethyl)-1,3-dioxan-5-amine
CID 123291172
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
2-methyl-2-nonadecyloxirane
CID 87754306
2-icosyl-2-methyloxirane
CID 87753382
2-hexadecyl-2-methyloxirane
CID 87444144
trimethyl-[methyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]-trimethylsilyloxysilyl]oxysilane
CID 177268731
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of 2-(heptoxymethyl)-2-methyloxirane?
The IUPAC name of 2-(heptoxymethyl)-2-methyloxirane (CID 23468444) is 2-(heptoxymethyl)-2-methyloxirane.
What is the SMILES notation for 2-(heptoxymethyl)-2-methyloxirane?
The canonical SMILES for 2-(heptoxymethyl)-2-methyloxirane is CCCCCCCOCC1(C)CO1.
What is the InChIKey of 2-(heptoxymethyl)-2-methyloxirane?
The InChIKey is IMOHIGPGZFPFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-4-5-6-7-8-12-9-11(2)10-13-11/h3-10H2,1-2H3.
What are the key properties of 2-(heptoxymethyl)-2-methyloxirane?
2-(heptoxymethyl)-2-methyloxirane has a molecular weight of 186.29 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptoxymethyl)-2-methyloxirane is sourced from PubChem (CID 23468444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).