carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate

C9H14O5 — CID 70064692

IUPACcarbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC(C(=O)OC)C1.O=C(O)O
InChIInChI=1S/C8H12O2.CH2O3/c1-6-3-4-7(5-6)8(9)10-2;2-1(3)4/h7H,1,3-5H2,2H3;(H2,2,3,4)
InChIKeyXXKVONFYWNRVDP-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.74
Rot. Bonds1

About carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate

carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate (PubChem CID 70064692) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namecarbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate
PubChem CID70064692
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Namecarbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC(C(=O)OC)C1.O=C(O)O
InChIInChI=1S/C8H12O2.CH2O3/c1-6-3-4-7(5-6)8(9)10-2;2-1(3)4/h7H,1,3-5H2,2H3;(H2,2,3,4)
InChIKeyXXKVONFYWNRVDP-UHFFFAOYSA-N
XLogP1.74
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate
CID 58332012
carbonic acid;prop-2-enyl (1R)-3-methylidenecyclopentane-1-carboxylate
CID 70114517
3-methylidenecyclopentane-1-carboxylic acid
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1-(3-methylidenecyclopentyl)ethanone
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methyl (5R)-2,3,4,5,6,7-hexahydro-1H-benzimidazole-5-carboxylate
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methyl (3E)-3-ethylidene-4-oxocyclohexane-1-carboxylate
CID 165477777
methyl 4-methylidenepiperidine-2-carboxylate
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methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride
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methyl 4-oxocycloheptane-1-carboxylate
CID 11116477
methyl 4,5,6,7-tetrahydro-1-benzofuran-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate?
The IUPAC name of carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate (CID 70064692) is carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate is C=C1CCC(C(=O)OC)C1.O=C(O)O.
What is the InChIKey of carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate?
The InChIKey is XXKVONFYWNRVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.CH2O3/c1-6-3-4-7(5-6)8(9)10-2;2-1(3)4/h7H,1,3-5H2,2H3;(H2,2,3,4).
What are the key properties of carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate?
carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 70064692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).