methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate

C8H14O4 — CID 124705910

IUPACmethyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC1(OC)OC
InChIInChI=1S/C8H14O4/c1-10-7(9)6-4-5-8(6,11-2)12-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyQJUKDAABUDTITN-LURJTMIESA-N
MW174.20 g/mol
LogP0.56
Rot. Bonds3

About methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate

methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate (PubChem CID 124705910) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
PubChem CID124705910
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC1(OC)OC
InChIInChI=1S/C8H14O4/c1-10-7(9)6-4-5-8(6,11-2)12-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyQJUKDAABUDTITN-LURJTMIESA-N
XLogP0.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate?
The IUPAC name of methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate (CID 124705910) is methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate?
The canonical SMILES for methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate is COC(=O)[C@@H]1CCC1(OC)OC.
What is the InChIKey of methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate?
The InChIKey is QJUKDAABUDTITN-LURJTMIESA-N. The full InChI is InChI=1S/C8H14O4/c1-10-7(9)6-4-5-8(6,11-2)12-3/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate?
methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate has a molecular weight of 174.20 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate is sourced from PubChem (CID 124705910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).