carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate

C11H16O5 — CID 70114517

IUPACcarbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate
SMILESC=CCOC(=O)[C@@H]1CCC(=C)C1.O=C(O)O
InChIInChI=1S/C10H14O2.CH2O3/c1-3-6-12-10(11)9-5-4-8(2)7-9;2-1(3)4/h3,9H,1-2,4-7H2;(H2,2,3,4)/t9-;/m1./s1
InChIKeyMLVJLRGMQLIZNH-SBSPUUFOSA-N
MW228.24 g/mol
LogP2.29
Rot. Bonds3

About carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate

carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate (PubChem CID 70114517) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namecarbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate
PubChem CID70114517
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namecarbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate
SMILESC=CCOC(=O)[C@@H]1CCC(=C)C1.O=C(O)O
InChIInChI=1S/C10H14O2.CH2O3/c1-3-6-12-10(11)9-5-4-8(2)7-9;2-1(3)4/h3,9H,1-2,4-7H2;(H2,2,3,4)/t9-;/m1./s1
InChIKeyMLVJLRGMQLIZNH-SBSPUUFOSA-N
XLogP2.29
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate?
The IUPAC name of carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate (CID 70114517) is carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate is C=CCOC(=O)[C@@H]1CCC(=C)C1.O=C(O)O.
What is the InChIKey of carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate?
The InChIKey is MLVJLRGMQLIZNH-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14O2.CH2O3/c1-3-6-12-10(11)9-5-4-8(2)7-9;2-1(3)4/h3,9H,1-2,4-7H2;(H2,2,3,4)/t9-;/m1./s1.
What are the key properties of carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate?
carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate has a molecular weight of 228.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 70114517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).