cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate

C15H24O5 — CID 74765977

IUPACcis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate
SMILESC=C[C@H]1CC(C(=O)OC)(C(=O)OC)C[C@@H]1OC(C)(C)C
InChIInChI=1S/C15H24O5/c1-7-10-8-15(12(16)18-5,13(17)19-6)9-11(10)20-14(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1
InChIKeyPHBOSONNSIPAOQ-QWRGUYRKSA-N
MW284.35 g/mol
LogP2.10
Rot. Bonds4

About cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate

cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate (PubChem CID 74765977) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate
PubChem CID74765977
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Namecis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate
SMILESC=C[C@H]1CC(C(=O)OC)(C(=O)OC)C[C@@H]1OC(C)(C)C
InChIInChI=1S/C15H24O5/c1-7-10-8-15(12(16)18-5,13(17)19-6)9-11(10)20-14(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1
InChIKeyPHBOSONNSIPAOQ-QWRGUYRKSA-N
XLogP2.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
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 cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate?
The IUPAC name of cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate (CID 74765977) is cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate?
The canonical SMILES for cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate is C=C[C@H]1CC(C(=O)OC)(C(=O)OC)C[C@@H]1OC(C)(C)C.
What is the InChIKey of cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate?
The InChIKey is PHBOSONNSIPAOQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H24O5/c1-7-10-8-15(12(16)18-5,13(17)19-6)9-11(10)20-14(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1.
What are the key properties of cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate?
cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate has a molecular weight of 284.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dimethyl (3R,4S)-3-ethenyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 74765977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).