dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate

C10H14O5 — CID 134930948

IUPACdimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate
SMILESC=CC1[C@H](O)CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O5/c1-4-6-7(11)5-10(6,8(12)14-2)9(13)15-3/h4,6-7,11H,1,5H2,2-3H3/t6?,7-/m1/s1
InChIKeyKFOGWIGZDDDRGV-COBSHVIPSA-N
MW214.22 g/mol
LogP-0.11
Rot. Bonds3

About dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate

dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate (PubChem CID 134930948) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate
PubChem CID134930948
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namedimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate
SMILESC=CC1[C@H](O)CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O5/c1-4-6-7(11)5-10(6,8(12)14-2)9(13)15-3/h4,6-7,11H,1,5H2,2-3H3/t6?,7-/m1/s1
InChIKeyKFOGWIGZDDDRGV-COBSHVIPSA-N
XLogP-0.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate (CID 134930948) is dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate is C=CC1[C@H](O)CC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate?
The InChIKey is KFOGWIGZDDDRGV-COBSHVIPSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-6-7(11)5-10(6,8(12)14-2)9(13)15-3/h4,6-7,11H,1,5H2,2-3H3/t6?,7-/m1/s1.
What are the key properties of dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate?
dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate has a molecular weight of 214.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R)-2-ethenyl-3-hydroxycyclobutane-1,1-dicarboxylate is sourced from PubChem (CID 134930948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).