1-ethoxycycloheptane-1-carboxylic acid

C10H18O3 — CID 18952939

IUPAC1-ethoxycycloheptane-1-carboxylic acid
SMILESCCOC1(C(=O)O)CCCCCC1
InChIInChI=1S/C10H18O3/c1-2-13-10(9(11)12)7-5-3-4-6-8-10/h2-8H2,1H3,(H,11,12)
InChIKeyFCMCUQITJZBIDV-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.20
Rot. Bonds3

About 1-ethoxycycloheptane-1-carboxylic acid

1-ethoxycycloheptane-1-carboxylic acid (PubChem CID 18952939) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-ethoxycycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethoxycycloheptane-1-carboxylic acid
PubChem CID18952939
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-ethoxycycloheptane-1-carboxylic acid
SMILESCCOC1(C(=O)O)CCCCCC1
InChIInChI=1S/C10H18O3/c1-2-13-10(9(11)12)7-5-3-4-6-8-10/h2-8H2,1H3,(H,11,12)
InChIKeyFCMCUQITJZBIDV-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxycycloheptane-1-carboxylic acid?
The IUPAC name of 1-ethoxycycloheptane-1-carboxylic acid (CID 18952939) is 1-ethoxycycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-ethoxycycloheptane-1-carboxylic acid?
The canonical SMILES for 1-ethoxycycloheptane-1-carboxylic acid is CCOC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-ethoxycycloheptane-1-carboxylic acid?
The InChIKey is FCMCUQITJZBIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-13-10(9(11)12)7-5-3-4-6-8-10/h2-8H2,1H3,(H,11,12).
What are the key properties of 1-ethoxycycloheptane-1-carboxylic acid?
1-ethoxycycloheptane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycycloheptane-1-carboxylic acid is sourced from PubChem (CID 18952939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).