ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate

C10H18O4 — CID 10330485

IUPACethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C)(C)C1(OC)OC
InChIInChI=1S/C10H18O4/c1-6-14-8(11)7-9(2,3)10(7,12-4)13-5/h7H,6H2,1-5H3
InChIKeyPXAUAWSDJJKNNX-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.19
Rot. Bonds4

About ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate

ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate (PubChem CID 10330485) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate
PubChem CID10330485
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C)(C)C1(OC)OC
InChIInChI=1S/C10H18O4/c1-6-14-8(11)7-9(2,3)10(7,12-4)13-5/h7H,6H2,1-5H3
InChIKeyPXAUAWSDJJKNNX-UHFFFAOYSA-N
XLogP1.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate (CID 10330485) is ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate is CCOC(=O)C1C(C)(C)C1(OC)OC.
What is the InChIKey of ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate?
The InChIKey is PXAUAWSDJJKNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6-14-8(11)7-9(2,3)10(7,12-4)13-5/h7H,6H2,1-5H3.
What are the key properties of ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate?
ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethoxy-3,3-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 10330485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).