ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate

C11H20O3 — CID 139939007

IUPACethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate
SMILESCCCOC1C(C(=O)OCC)C1(C)C
InChIInChI=1S/C11H20O3/c1-5-7-14-9-8(11(9,3)4)10(12)13-6-2/h8-9H,5-7H2,1-4H3
InChIKeyROKFJSVZWYPDCI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.00
Rot. Bonds5

About ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate

ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate (PubChem CID 139939007) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate
PubChem CID139939007
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate
SMILESCCCOC1C(C(=O)OCC)C1(C)C
InChIInChI=1S/C11H20O3/c1-5-7-14-9-8(11(9,3)4)10(12)13-6-2/h8-9H,5-7H2,1-4H3
InChIKeyROKFJSVZWYPDCI-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate
CID 139889591
2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid
CID 90905130
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
propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 66922170
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
trans-ethyl (1R,3S)-3-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 95387021
ethyl 3-hexa-1,3-dienyl-2,2-dimethylcyclopropane-1-carboxylate
CID 74019557
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate (CID 139939007) is ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate is CCCOC1C(C(=O)OCC)C1(C)C.
What is the InChIKey of ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate?
The InChIKey is ROKFJSVZWYPDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-7-14-9-8(11(9,3)4)10(12)13-6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate?
ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate is sourced from PubChem (CID 139939007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).