3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

C8H12O3 — CID 153294461

IUPAC3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCOCC12CC(C(=O)O)(C1)C2
InChIInChI=1S/C8H12O3/c1-11-5-7-2-8(3-7,4-7)6(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyANVCQLAOCSFXDU-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds3

About 3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 153294461) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID153294461
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCOCC12CC(C(=O)O)(C1)C2
InChIInChI=1S/C8H12O3/c1-11-5-7-2-8(3-7,4-7)6(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyANVCQLAOCSFXDU-UHFFFAOYSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid (CID 153294461) is 3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid is COCC12CC(C(=O)O)(C1)C2.
What is the InChIKey of 3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is ANVCQLAOCSFXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-5-7-2-8(3-7,4-7)6(9)10/h2-5H2,1H3,(H,9,10).
What are the key properties of 3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid?
3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 153294461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).