1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid

C12H20O3 — CID 82238446

IUPAC1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(OCC2CC2)CCCCCC1
InChIInChI=1S/C12H20O3/c13-11(14)12(15-9-10-5-6-10)7-3-1-2-4-8-12/h10H,1-9H2,(H,13,14)
InChIKeyBAMNOLMHCFYHIX-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.59
Rot. Bonds4

About 1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid

1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid (PubChem CID 82238446) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid
PubChem CID82238446
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(OCC2CC2)CCCCCC1
InChIInChI=1S/C12H20O3/c13-11(14)12(15-9-10-5-6-10)7-3-1-2-4-8-12/h10H,1-9H2,(H,13,14)
InChIKeyBAMNOLMHCFYHIX-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid (CID 82238446) is 1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid is O=C(O)C1(OCC2CC2)CCCCCC1.
What is the InChIKey of 1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid?
The InChIKey is BAMNOLMHCFYHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-11(14)12(15-9-10-5-6-10)7-3-1-2-4-8-12/h10H,1-9H2,(H,13,14).
What are the key properties of 1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid?
1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 82238446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).