ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate

C15H18O2 — CID 11644308

IUPACethyl 3,5,6-trimethyl-1H-indene-2-carboxylate
SMILESCCOC(=O)C1=C(C)c2cc(C)c(C)cc2C1
InChIInChI=1S/C15H18O2/c1-5-17-15(16)14-8-12-6-9(2)10(3)7-13(12)11(14)4/h6-7H,5,8H2,1-4H3
InChIKeyYQTIFUPECZINPJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.20
Rot. Bonds2

About ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate

ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate (PubChem CID 11644308) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,5,6-trimethyl-1H-indene-2-carboxylate
PubChem CID11644308
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nameethyl 3,5,6-trimethyl-1H-indene-2-carboxylate
SMILESCCOC(=O)C1=C(C)c2cc(C)c(C)cc2C1
InChIInChI=1S/C15H18O2/c1-5-17-15(16)14-8-12-6-9(2)10(3)7-13(12)11(14)4/h6-7H,5,8H2,1-4H3
InChIKeyYQTIFUPECZINPJ-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate?
The IUPAC name of ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate (CID 11644308) is ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate?
The canonical SMILES for ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate is CCOC(=O)C1=C(C)c2cc(C)c(C)cc2C1.
What is the InChIKey of ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate?
The InChIKey is YQTIFUPECZINPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-5-17-15(16)14-8-12-6-9(2)10(3)7-13(12)11(14)4/h6-7H,5,8H2,1-4H3.
What are the key properties of ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate?
ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5,6-trimethyl-1H-indene-2-carboxylate is sourced from PubChem (CID 11644308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).