1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C8H14O3 — CID 102569911

IUPAC1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOCC1(C(=O)O)CC1(C)C
InChIInChI=1S/C8H14O3/c1-7(2)4-8(7,5-11-3)6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeyLQDWYDQSBZTOTK-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.13
Rot. Bonds3

About 1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 102569911) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID102569911
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOCC1(C(=O)O)CC1(C)C
InChIInChI=1S/C8H14O3/c1-7(2)4-8(7,5-11-3)6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeyLQDWYDQSBZTOTK-UHFFFAOYSA-N
XLogP1.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 102569911) is 1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is COCC1(C(=O)O)CC1(C)C.
What is the InChIKey of 1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is LQDWYDQSBZTOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(2)4-8(7,5-11-3)6(9)10/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 102569911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).