ethyl 3,5-dicyclopropyloxybenzoate

C15H18O4 — CID 156633394

IUPACethyl 3,5-dicyclopropyloxybenzoate
SMILESCCOC(=O)c1cc(OC2CC2)cc(OC2CC2)c1
InChIInChI=1S/C15H18O4/c1-2-17-15(16)10-7-13(18-11-3-4-11)9-14(8-10)19-12-5-6-12/h7-9,11-12H,2-6H2,1H3
InChIKeyPTFFYVJHIHWEAH-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.95
Rot. Bonds6

About ethyl 3,5-dicyclopropyloxybenzoate

ethyl 3,5-dicyclopropyloxybenzoate (PubChem CID 156633394) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is ethyl 3,5-dicyclopropyloxybenzoate.

Molecular Properties

Compound Nameethyl 3,5-dicyclopropyloxybenzoate
PubChem CID156633394
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Nameethyl 3,5-dicyclopropyloxybenzoate
SMILESCCOC(=O)c1cc(OC2CC2)cc(OC2CC2)c1
InChIInChI=1S/C15H18O4/c1-2-17-15(16)10-7-13(18-11-3-4-11)9-14(8-10)19-12-5-6-12/h7-9,11-12H,2-6H2,1H3
InChIKeyPTFFYVJHIHWEAH-UHFFFAOYSA-N
XLogP2.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dicyclopropyloxybenzoate?
The IUPAC name of ethyl 3,5-dicyclopropyloxybenzoate (CID 156633394) is ethyl 3,5-dicyclopropyloxybenzoate.
What is the SMILES notation for ethyl 3,5-dicyclopropyloxybenzoate?
The canonical SMILES for ethyl 3,5-dicyclopropyloxybenzoate is CCOC(=O)c1cc(OC2CC2)cc(OC2CC2)c1.
What is the InChIKey of ethyl 3,5-dicyclopropyloxybenzoate?
The InChIKey is PTFFYVJHIHWEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-17-15(16)10-7-13(18-11-3-4-11)9-14(8-10)19-12-5-6-12/h7-9,11-12H,2-6H2,1H3.
What are the key properties of ethyl 3,5-dicyclopropyloxybenzoate?
ethyl 3,5-dicyclopropyloxybenzoate has a molecular weight of 262.30 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dicyclopropyloxybenzoate is sourced from PubChem (CID 156633394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).