prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate

C10H14O3 — CID 87573411

IUPACprop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate
SMILESC=CCOC(=O)C1(C)CC2OC2C1
InChIInChI=1S/C10H14O3/c1-3-4-12-9(11)10(2)5-7-8(6-10)13-7/h3,7-8H,1,4-6H2,2H3
InChIKeyKKSDBLMMECYNLF-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.28
Rot. Bonds3

About prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate

prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 87573411) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID87573411
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameprop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate
SMILESC=CCOC(=O)C1(C)CC2OC2C1
InChIInChI=1S/C10H14O3/c1-3-4-12-9(11)10(2)5-7-8(6-10)13-7/h3,7-8H,1,4-6H2,2H3
InChIKeyKKSDBLMMECYNLF-UHFFFAOYSA-N
XLogP1.28
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylprop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 12000687
Pent-1-en-3-yl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 87574178
Prop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 87574212
2-Bromoprop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 87574246
Prop-2-enyl 1-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 87574729
2-Chloroprop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 87575550
trans-prop-2-enyl (1S,3S)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
CID 117726855
trans-prop-2-enyl (1S,3S)-3-methoxycyclopentane-1-carboxylate
CID 117726856
prop-2-enyl (1S)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
CID 122549100
ethyl (1S,5R)-3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 169826277

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate (CID 87573411) is prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate is C=CCOC(=O)C1(C)CC2OC2C1.
What is the InChIKey of prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is KKSDBLMMECYNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-4-12-9(11)10(2)5-7-8(6-10)13-7/h3,7-8H,1,4-6H2,2H3.
What are the key properties of prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate?
prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-methyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 87573411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).