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

C10H18O3 — CID 139889591

IUPACethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(OCC)C1(C)C
InChIInChI=1S/C10H18O3/c1-5-12-8-7(10(8,3)4)9(11)13-6-2/h7-8H,5-6H2,1-4H3
InChIKeyIBXAZKVHJYCVQB-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.61
Rot. Bonds4

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

ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 139889591) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID139889591
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(OCC)C1(C)C
InChIInChI=1S/C10H18O3/c1-5-12-8-7(10(8,3)4)9(11)13-6-2/h7-8H,5-6H2,1-4H3
InChIKeyIBXAZKVHJYCVQB-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate
CID 139939007
ethyl 3-hexa-1,3-dienyl-2,2-dimethylcyclopropane-1-carboxylate
CID 74019557
trans-ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 719276
trans-ethyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-2-enyl)cyclopropane-1-carboxylate
CID 91717041
trans-ethyl (1R,3R)-3-[(2R)-3,3-dimethyloxiran-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
CID 134865011
ethyl 2,2-dimethyl-3-prop-2-enylcyclopropane-1-carboxylate
CID 588084
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl 3-(2-chloroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 139939004
cis-ethyl (1S,3S)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
CID 94862316
ethyl 3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 23078061
ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 149163256
trans-ethyl (1R,3S)-3-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 95387021

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate (CID 139889591) is ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate is CCOC(=O)C1C(OCC)C1(C)C.
What is the InChIKey of ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is IBXAZKVHJYCVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-12-8-7(10(8,3)4)9(11)13-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate?
ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 139889591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).