(1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate

C14H15O3- — CID 7055766

IUPAC(1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate
SMILESCc1c(C)c(C)c2c(c1C)C(=O)C[C@H]2C(=O)[O-]
InChIInChI=1S/C14H16O3/c1-6-7(2)9(4)13-11(15)5-10(14(16)17)12(13)8(6)3/h10H,5H2,1-4H3,(H,16,17)/p-1/t10-/m1/s1
InChIKeyXJQGZBYITZDJTQ-SNVBAGLBSA-M
MW231.27 g/mol
LogP1.34
Rot. Bonds1

About (1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate

(1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate (PubChem CID 7055766) has the molecular formula C14H15O3- and a molecular weight of 231.27 g/mol. Its IUPAC name is (1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate.

Molecular Properties

Compound Name(1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate
PubChem CID7055766
Molecular FormulaC14H15O3-
Molecular Weight231.27 g/mol
Exact Mass231.10
IUPAC Name(1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate
SMILESCc1c(C)c(C)c2c(c1C)C(=O)C[C@H]2C(=O)[O-]
InChIInChI=1S/C14H16O3/c1-6-7(2)9(4)13-11(15)5-10(14(16)17)12(13)8(6)3/h10H,5H2,1-4H3,(H,16,17)/p-1/t10-/m1/s1
InChIKeyXJQGZBYITZDJTQ-SNVBAGLBSA-M
XLogP1.34
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate?
The IUPAC name of (1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate (CID 7055766) is (1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate.
What is the SMILES notation for (1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate?
The canonical SMILES for (1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate is Cc1c(C)c(C)c2c(c1C)C(=O)C[C@H]2C(=O)[O-].
What is the InChIKey of (1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate?
The InChIKey is XJQGZBYITZDJTQ-SNVBAGLBSA-M. The full InChI is InChI=1S/C14H16O3/c1-6-7(2)9(4)13-11(15)5-10(14(16)17)12(13)8(6)3/h10H,5H2,1-4H3,(H,16,17)/p-1/t10-/m1/s1.
What are the key properties of (1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate?
(1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate has a molecular weight of 231.27 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate is sourced from PubChem (CID 7055766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).