3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate

C8H13O3- — CID 22564701

IUPAC3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOCC1C(C(=O)[O-])C1(C)C
InChIInChI=1S/C8H14O3/c1-8(2)5(4-11-3)6(8)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)/p-1
InChIKeyRFIBAKPNIKECNC-UHFFFAOYSA-M
MW157.19 g/mol
LogP-0.35
Rot. Bonds3

About 3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate

3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 22564701) has the molecular formula C8H13O3- and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID22564701
Molecular FormulaC8H13O3-
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOCC1C(C(=O)[O-])C1(C)C
InChIInChI=1S/C8H14O3/c1-8(2)5(4-11-3)6(8)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)/p-1
InChIKeyRFIBAKPNIKECNC-UHFFFAOYSA-M
XLogP-0.35
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of 3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 22564701) is 3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for 3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for 3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate is COCC1C(C(=O)[O-])C1(C)C.
What is the InChIKey of 3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is RFIBAKPNIKECNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O3/c1-8(2)5(4-11-3)6(8)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)/p-1.
What are the key properties of 3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 157.19 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 22564701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).