methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate

C10H16O3 — CID 10655088

IUPACmethyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate
SMILESCCO[C@H]1C(C(=O)OC)=C(C)[C@H]1C
InChIInChI=1S/C10H16O3/c1-5-13-9-7(3)6(2)8(9)10(11)12-4/h7,9H,5H2,1-4H3/t7-,9-/m1/s1
InChIKeyJQRFQNCJLRJZAO-VXNVDRBHSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds3

About methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate

methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate (PubChem CID 10655088) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate
PubChem CID10655088
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate
SMILESCCO[C@H]1C(C(=O)OC)=C(C)[C@H]1C
InChIInChI=1S/C10H16O3/c1-5-13-9-7(3)6(2)8(9)10(11)12-4/h7,9H,5H2,1-4H3/t7-,9-/m1/s1
InChIKeyJQRFQNCJLRJZAO-VXNVDRBHSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate?
The IUPAC name of methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate (CID 10655088) is methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate.
What is the SMILES notation for methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate?
The canonical SMILES for methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate is CCO[C@H]1C(C(=O)OC)=C(C)[C@H]1C.
What is the InChIKey of methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate?
The InChIKey is JQRFQNCJLRJZAO-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-13-9-7(3)6(2)8(9)10(11)12-4/h7,9H,5H2,1-4H3/t7-,9-/m1/s1.
What are the key properties of methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate?
methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate is sourced from PubChem (CID 10655088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).