(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate

C12H18O3 — CID 59256267

IUPAC(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCC2OC2(C)C1
InChIInChI=1S/C12H18O3/c1-8(2)11(13)14-7-9-4-5-10-12(3,6-9)15-10/h9-10H,1,4-7H2,2-3H3
InChIKeyAFQVATDPWJBXMN-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds3

About (1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate

(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate (PubChem CID 59256267) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate
PubChem CID59256267
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCC2OC2(C)C1
InChIInChI=1S/C12H18O3/c1-8(2)11(13)14-7-9-4-5-10-12(3,6-9)15-10/h9-10H,1,4-7H2,2-3H3
InChIKeyAFQVATDPWJBXMN-UHFFFAOYSA-N
XLogP2.06
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxy-3-methylcyclobutyl)methyl 2-methylprop-2-enoate
CID 156781576
(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate
CID 163450308
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
(4-ethoxycyclohexyl)methyl 2-methylprop-2-enoate
CID 139934588
[4-(acetamidomethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 58651922
thian-4-ylmethyl 2-methylprop-2-enoate
CID 163835794
ethane;1-methyl-3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane
CID 91611830
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159462145
oxepan-4-ylmethyl 2-methylprop-2-enoate
CID 89126138
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoate
CID 160642606
2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate
CID 139896785

Frequently Asked Questions

What is the IUPAC name of (1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate (CID 59256267) is (1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCC2OC2(C)C1.
What is the InChIKey of (1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate?
The InChIKey is AFQVATDPWJBXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8(2)11(13)14-7-9-4-5-10-12(3,6-9)15-10/h9-10H,1,4-7H2,2-3H3.
What are the key properties of (1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate?
(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate has a molecular weight of 210.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 59256267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).