3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate

C20H30O6 — CID 59751179

IUPAC3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
SMILESCOC(=O)C1CC2(C)OC2CC1C(=O)OC(C)(C)C1CCC2(C)OC2C1
InChIInChI=1S/C20H30O6/c1-18(2,11-6-7-19(3)14(8-11)24-19)26-17(22)12-9-15-20(4,25-15)10-13(12)16(21)23-5/h11-15H,6-10H2,1-5H3
InChIKeyXXOZDKZWQGVFQB-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.62
Rot. Bonds4

About 3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate

3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate (PubChem CID 59751179) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
PubChem CID59751179
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Name3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
SMILESCOC(=O)C1CC2(C)OC2CC1C(=O)OC(C)(C)C1CCC2(C)OC2C1
InChIInChI=1S/C20H30O6/c1-18(2,11-6-7-19(3)14(8-11)24-19)26-17(22)12-9-15-20(4,25-15)10-13(12)16(21)23-5/h11-15H,6-10H2,1-5H3
InChIKeyXXOZDKZWQGVFQB-UHFFFAOYSA-N
XLogP2.62
TPSA77.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate with MolForge

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Related Compounds

bis[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] benzene-1,4-dicarboxylate
CID 101117206
2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl 8-methyl-8-(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-6-oxononanoate
CID 59751174
(1R,4R,6S)-4-tert-butyl-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 165344211
bis[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 3,3-dimethylpentanedioate;bis[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 3-hydroxypentanedioate;bis[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 3-(methoxymethyl)-3-methylpentanedioate;bis[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 3-methylpentanedioate;bis[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] pentanedioate;4-O-[2-(1,3-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-O-[2-(3,6-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] butanedioate;4-O-[2-(1,4-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-O-[2-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] butanedioate;3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 158620041
ethyl 1-methyl-4-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methylcarbamoyl]-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59364608
(4R)-4-(2-fluoropropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 134946576
4-[dibromo-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 59720798
4-O-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] 3-O-[(2-methyloxan-4-yl)methyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 89288711
3-O-methyl 4-O-[2-[(3-methyloxiran-2-yl)methyl]butyl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 89144209
[2-methyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxy-2-[(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxymethyl]propyl] 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 58908073
[2,2-dimethyl-3-[(1S)-6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl]oxypropyl] 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 89333800
amino (1R,3R,6S)-6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 159481810

Frequently Asked Questions

What is the IUPAC name of 3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate?
The IUPAC name of 3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate (CID 59751179) is 3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate.
What is the SMILES notation for 3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate?
The canonical SMILES for 3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate is COC(=O)C1CC2(C)OC2CC1C(=O)OC(C)(C)C1CCC2(C)OC2C1.
What is the InChIKey of 3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate?
The InChIKey is XXOZDKZWQGVFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O6/c1-18(2,11-6-7-19(3)14(8-11)24-19)26-17(22)12-9-15-20(4,25-15)10-13(12)16(21)23-5/h11-15H,6-10H2,1-5H3.
What are the key properties of 3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate?
3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate has a molecular weight of 366.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-methyl 4-O-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl] 1-methyl-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate is sourced from PubChem (CID 59751179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).