methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate

C9H10O4 — CID 140967907

IUPACmethyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate
SMILESCOC(=O)C1C=CC2=C1OC(C)O2
InChIInChI=1S/C9H10O4/c1-5-12-7-4-3-6(8(7)13-5)9(10)11-2/h3-6H,1-2H3
InChIKeyKSXZXNHFBIGOHX-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.95
Rot. Bonds1

About methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate

methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate (PubChem CID 140967907) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate
PubChem CID140967907
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Namemethyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate
SMILESCOC(=O)C1C=CC2=C1OC(C)O2
InChIInChI=1S/C9H10O4/c1-5-12-7-4-3-6(8(7)13-5)9(10)11-2/h3-6H,1-2H3
InChIKeyKSXZXNHFBIGOHX-UHFFFAOYSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6H-cyclohepta[d][1,3]dioxole-6-carboxylate
CID 11171802
Methyl 3-(5-methoxy-2,5-dihydro-2-furylidene)propionate
CID 23266343
(Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate
CID 134851987
4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 54052410
Ethyl 3,5,5-triethoxypent-3-enoate
CID 139916219
2,4-Dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 141007280
2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 141007357
methyl (3E)-3-(2-methoxy-2H-furan-5-ylidene)propanoate
CID 13149552

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate?
The IUPAC name of methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate (CID 140967907) is methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate is COC(=O)C1C=CC2=C1OC(C)O2.
What is the InChIKey of methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate?
The InChIKey is KSXZXNHFBIGOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-5-12-7-4-3-6(8(7)13-5)9(10)11-2/h3-6H,1-2H3.
What are the key properties of methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate?
methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate has a molecular weight of 182.17 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate is sourced from PubChem (CID 140967907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).