[3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate

C15H22O4 — CID 175256093

IUPAC[3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate
SMILESCC1(C2C3OC3CCC2(C)OC=O)CCC2OC2C1
InChIInChI=1S/C15H22O4/c1-14(5-3-9-11(7-14)18-9)13-12-10(19-12)4-6-15(13,2)17-8-16/h8-13H,3-7H2,1-2H3
InChIKeyNOJHUVWZKIAFOD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.05
Rot. Bonds3

About [3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate

[3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate (PubChem CID 175256093) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is [3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate.

Molecular Properties

Compound Name[3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate
PubChem CID175256093
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name[3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate
SMILESCC1(C2C3OC3CCC2(C)OC=O)CCC2OC2C1
InChIInChI=1S/C15H22O4/c1-14(5-3-9-11(7-14)18-9)13-12-10(19-12)4-6-15(13,2)17-8-16/h8-13H,3-7H2,1-2H3
InChIKeyNOJHUVWZKIAFOD-UHFFFAOYSA-N
XLogP2.05
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-chloro-2-(3-chloro-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 54464300
(1S,6S)-3,3-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 98113382
[(2S,3R,4aS,8aR)-2,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydrochromen-3-yl] formate
CID 23254121
(1S,6R)-3-methyl-3-pentoxy-7-oxabicyclo[4.1.0]heptane
CID 174589091
3-methyl-3-[3-[3-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)prop-2-enoxy]prop-1-enyl]-7-oxabicyclo[4.1.0]heptane
CID 175703569
3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane
CID 152585972
but-2-enyl 3-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 141255447
dimethyl 6-oxabicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 14970965
bis[(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl] hexanedioate
CID 54210343
2,3-dimethyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 87172735
(4-methyl-1-propylcyclohexyl) formate
CID 130399712
spiro[1,3-dioxolane-2,3'-7-oxabicyclo[4.1.0]heptane]
CID 13062431

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate?
The IUPAC name of [3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate (CID 175256093) is [3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate.
What is the SMILES notation for [3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate?
The canonical SMILES for [3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate is CC1(C2C3OC3CCC2(C)OC=O)CCC2OC2C1.
What is the InChIKey of [3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate?
The InChIKey is NOJHUVWZKIAFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-14(5-3-9-11(7-14)18-9)13-12-10(19-12)4-6-15(13,2)17-8-16/h8-13H,3-7H2,1-2H3.
What are the key properties of [3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate?
[3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate has a molecular weight of 266.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(3-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptan-3-yl] formate is sourced from PubChem (CID 175256093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).