methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate

C9H16O3 — CID 582201

IUPACmethyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C(OC)C1C(C)C
InChIInChI=1S/C9H16O3/c1-5(2)6-7(8(6)11-3)9(10)12-4/h5-8H,1-4H3
InChIKeyBYNKZNUWEDYIGE-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate

methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate (PubChem CID 582201) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate
PubChem CID582201
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)C1C(OC)C1C(C)C
InChIInChI=1S/C9H16O3/c1-5(2)6-7(8(6)11-3)9(10)12-4/h5-8H,1-4H3
InChIKeyBYNKZNUWEDYIGE-UHFFFAOYSA-N
XLogP1.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-3-methoxycyclopropanecarboxylic acid, methyl ester
CID 567317
Methyl 3-methoxy-5-methylhexanoate
CID 21678130
Ethyl 3-ethyl-2,2-dimethoxycyclopropane-1-carboxylate
CID 11571981
2-Ethyl-3-methoxycyclopropanecarboxylic acid
CID 558216
2-Methoxy-3-(propan-2-yl)cyclopropane-1-carboxylic acid
CID 575407
methyl (3S)-3-methoxy-5-methylhexanoate
CID 642262
Methyl 3-methoxy-4-methylhexanoate
CID 21678129
Ethyl 3-cyclopropyl-3-ethoxypropanoate
CID 9794091
Propyl 3-cyclopropyl-3-propoxypropanoate
CID 10130592
Methyl 3-cyclopropyl-3-methoxypropionate
CID 10313241
Cyclopropanecarboxylic acid, 2-ethyl-2-methoxy-3-methyl-, ethyl ester
CID 11389827
2-(1-Methoxypropyl)-3-methylbutanedioate
CID 18715999

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate (CID 582201) is methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate is COC(=O)C1C(OC)C1C(C)C.
What is the InChIKey of methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate?
The InChIKey is BYNKZNUWEDYIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-5(2)6-7(8(6)11-3)9(10)12-4/h5-8H,1-4H3.
What are the key properties of methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate?
methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-3-propan-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 582201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).