2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane

C12H22O3 — CID 11435847

IUPAC2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane
SMILESCOCOC(C)(CCC=C(C)C)C1CO1
InChIInChI=1S/C12H22O3/c1-10(2)6-5-7-12(3,11-8-14-11)15-9-13-4/h6,11H,5,7-9H2,1-4H3
InChIKeyDOWFTZLWOFJRCK-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.51
Rot. Bonds7

About 2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane

2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane (PubChem CID 11435847) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane
PubChem CID11435847
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane
SMILESCOCOC(C)(CCC=C(C)C)C1CO1
InChIInChI=1S/C12H22O3/c1-10(2)6-5-7-12(3,11-8-14-11)15-9-13-4/h6,11H,5,7-9H2,1-4H3
InChIKeyDOWFTZLWOFJRCK-UHFFFAOYSA-N
XLogP2.51
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-amino-5-methyl-1-(oxiran-2-yl)hex-4-en-1-ol
CID 146180447
ethyl (E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,5R)-5-[(2S)-2-(methoxymethoxy)-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-2-methylhex-2-enoate
CID 14059925
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol
CID 11470214
methyl (2R,5R)-2-methyl-5-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]oxolane-2-carboxylate
CID 11221578
7-methoxy-2,6,6-trimethyloct-2-ene
CID 89306696
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane
CID 11446544
(2S)-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-2-yl]-1,3-oxazolidin-3-ium
CID 2054604
(2R)-2-[(4E)-2,5,9-trimethyldeca-4,8-dien-2-yl]-1,3-oxazolidin-3-ium
CID 2054608
1-methoxy-3,7-dimethylocta-1,6-dien-3-ol
CID 154089045
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
(2S)-2-(5-methylhex-4-enyl)oxirane
CID 102089561

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane?
The IUPAC name of 2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane (CID 11435847) is 2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane.
What is the SMILES notation for 2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane?
The canonical SMILES for 2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane is COCOC(C)(CCC=C(C)C)C1CO1.
What is the InChIKey of 2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane?
The InChIKey is DOWFTZLWOFJRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-10(2)6-5-7-12(3,11-8-14-11)15-9-13-4/h6,11H,5,7-9H2,1-4H3.
What are the key properties of 2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane?
2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane has a molecular weight of 214.30 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)-6-methylhept-5-en-2-yl]oxirane is sourced from PubChem (CID 11435847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).