[(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate

C16H24O4 — CID 146536214

IUPAC[(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
SMILESCC1CC2O[C@H]2CC1C(=O)OCC1CC2OC2C[C@H]1C
InChIInChI=1S/C16H24O4/c1-8-3-12-14(19-12)5-10(8)7-18-16(17)11-6-15-13(20-15)4-9(11)2/h8-15H,3-7H2,1-2H3/t8-,9?,10?,11?,12?,13?,14?,15+/m1/s1
InChIKeyGRWFFFOEIHGUBG-NSGJENGASA-N
MW280.36 g/mol
LogP2.16
Rot. Bonds3

About [(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate

[(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate (PubChem CID 146536214) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is [(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate.

Molecular Properties

Compound Name[(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
PubChem CID146536214
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name[(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
SMILESCC1CC2O[C@H]2CC1C(=O)OCC1CC2OC2C[C@H]1C
InChIInChI=1S/C16H24O4/c1-8-3-12-14(19-12)5-10(8)7-18-16(17)11-6-15-13(20-15)4-9(11)2/h8-15H,3-7H2,1-2H3/t8-,9?,10?,11?,12?,13?,14?,15+/m1/s1
InChIKeyGRWFFFOEIHGUBG-NSGJENGASA-N
XLogP2.16
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate with MolForge

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Related Compounds

(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl cyclohexanecarboxylate
CID 140970543
(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 1-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 165388070
6-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-6-oxohexanoic acid
CID 54365530
2,3-dihydroxypropyl 4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;bis(4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid)
CID 88832171
bis[2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-oxoethyl] 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate;bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) carbonate;bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) hexanedioate;methane;(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate;[4-(7-oxabicyclo[4.1.0]heptane-3-carbonyloxymethyl)cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;[4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxycarbonyloxymethyl)cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptan-3-ylmethyl carbonate;7-oxabicyclo[4.1.0]heptan-3-ylmethoxycarbonyloxymethyl 7-oxabicyclo[4.1.0]heptan-3-ylmethyl carbonate;[6-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-6-oxohexyl] 7-oxabicyclo[4.1.0]heptane-3-carboxylate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 159269383
3-methyl-4-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-7-oxabicyclo[4.1.0]heptane
CID 59936732
[4-(pentanoyloxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl pentanoate
CID 59735654
bis(prop-2-enyl) (1R,3S,4S,6S)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 92525933
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
[2,2-dimethyl-3-(4-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxypropyl] 4-methyl-7-oxabicyclo[4.1.0]hept-4-ene-3-carboxylate
CID 163717170
4-O-[8-(4-undecoxycarbonyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxyoctyl] 3-O-undecyl 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 101310677
diundecyl 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 86223918

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The IUPAC name of [(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate (CID 146536214) is [(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate.
What is the SMILES notation for [(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The canonical SMILES for [(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate is CC1CC2O[C@H]2CC1C(=O)OCC1CC2OC2C[C@H]1C.
What is the InChIKey of [(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The InChIKey is GRWFFFOEIHGUBG-NSGJENGASA-N. The full InChI is InChI=1S/C16H24O4/c1-8-3-12-14(19-12)5-10(8)7-18-16(17)11-6-15-13(20-15)4-9(11)2/h8-15H,3-7H2,1-2H3/t8-,9?,10?,11?,12?,13?,14?,15+/m1/s1.
What are the key properties of [(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate?
[(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate has a molecular weight of 280.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (1S)-4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate is sourced from PubChem (CID 146536214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).