methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate

C14H20O3 — CID 141174701

IUPACmethyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2C=CC(=O)C2)C(C)(C)C1(C)C
InChIInChI=1S/C14H20O3/c1-12(2)13(3,4)14(12,11(16)17-5)9-6-7-10(15)8-9/h6-7,9H,8H2,1-5H3
InChIKeyVHGQRWQACZWNSF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.36
Rot. Bonds2

About methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate

methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate (PubChem CID 141174701) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate
PubChem CID141174701
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2C=CC(=O)C2)C(C)(C)C1(C)C
InChIInChI=1S/C14H20O3/c1-12(2)13(3,4)14(12,11(16)17-5)9-6-7-10(15)8-9/h6-7,9H,8H2,1-5H3
InChIKeyVHGQRWQACZWNSF-UHFFFAOYSA-N
XLogP2.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-Methoxycarbonylmethyl-5-(cis-2-pentenyl)-2-cyclopentenone
CID 44562749
2-(4-Oxo-5-pentylcyclopent-2-en-1-yl)acetic acid
CID 25190957
Methyl 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)acetate
CID 14192511
Methyl 2-(3-iodo-4-oxo-5-pentylcyclopent-2-en-1-yl)acetate
CID 44562696
ethyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70684113
propyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70684114
methyl 8-[(1R,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
CID 14037068
Methyl 8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoate
CID 73080730
2-[(1S,5R)-4-oxo-5-pentylcyclopent-2-en-1-yl]acetic acid
CID 101634567
methyl 8-[(1S,5R)-4-oxo-5-[(E)-4-oxopent-2-enyl]cyclopent-2-en-1-yl]octanoate
CID 162932845
methyl (3aS,9S,9aR)-2,2,5-trimethyl-4-oxo-3,3a,7,8,9,9a-hexahydro-1H-cyclopenta[8]annulene-9-carboxylate
CID 163040499
Methyl 8-[2-(cis-pent-2'-enyl)-3-oxo-cis-cyclopent-4-enyl] octanoate
CID 10447891

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate (CID 141174701) is methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate is COC(=O)C1(C2C=CC(=O)C2)C(C)(C)C1(C)C.
What is the InChIKey of methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate?
The InChIKey is VHGQRWQACZWNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-12(2)13(3,4)14(12,11(16)17-5)9-6-7-10(15)8-9/h6-7,9H,8H2,1-5H3.
What are the key properties of methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate?
methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3,3-tetramethyl-1-(4-oxocyclopent-2-en-1-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 141174701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).