2-(6-methylheptoxymethyl)oxirane

C11H22O2 — CID 22571168

IUPAC2-(6-methylheptoxymethyl)oxirane
SMILESCC(C)CCCCCOCC1CO1
InChIInChI=1S/C11H22O2/c1-10(2)6-4-3-5-7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3
InChIKeyAYHLPQOWRMPEKH-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.62
Rot. Bonds8

About 2-(6-methylheptoxymethyl)oxirane

2-(6-methylheptoxymethyl)oxirane (PubChem CID 22571168) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(6-methylheptoxymethyl)oxirane.

Molecular Properties

Compound Name2-(6-methylheptoxymethyl)oxirane
PubChem CID22571168
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(6-methylheptoxymethyl)oxirane
SMILESCC(C)CCCCCOCC1CO1
InChIInChI=1S/C11H22O2/c1-10(2)6-4-3-5-7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3
InChIKeyAYHLPQOWRMPEKH-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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-Ethylhexyl glycidyl ether
CID 17162
[3-(5-Methylhexyl)oxiran-2-YL]methanol
CID 14102157
2-((Heptyloxy)methyl)oxirane
CID 5074764
(R)-(+)-Glycidyl heptyl ether
CID 22831356
2-(((2-Ethylcyclohexyl)oxy)methyl)oxirane
CID 24704778
(4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane
CID 75525024
2-[(Cyclohexylmethoxy)methyl]oxirane
CID 11435189
Isostearyl glycidyl ether
CID 22622804
2-(5-Methylhexyl)-3-propyloxirane
CID 54246942
((Isononyloxy)methyl)oxirane
CID 120106
(((2-Methyltetradecyl)oxy)methyl)oxirane
CID 5744266
((Isotridecyloxy)methyl)oxirane
CID 6454744

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptoxymethyl)oxirane?
The IUPAC name of 2-(6-methylheptoxymethyl)oxirane (CID 22571168) is 2-(6-methylheptoxymethyl)oxirane.
What is the SMILES notation for 2-(6-methylheptoxymethyl)oxirane?
The canonical SMILES for 2-(6-methylheptoxymethyl)oxirane is CC(C)CCCCCOCC1CO1.
What is the InChIKey of 2-(6-methylheptoxymethyl)oxirane?
The InChIKey is AYHLPQOWRMPEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(2)6-4-3-5-7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(6-methylheptoxymethyl)oxirane?
2-(6-methylheptoxymethyl)oxirane has a molecular weight of 186.29 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptoxymethyl)oxirane is sourced from PubChem (CID 22571168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).