(1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid

C15H20O4 — CID 23635065

IUPAC(1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid
SMILESCCC1=C(C)C(=O)[C@@H](C)C[C@]12C(=O)CC[C@H]2C(=O)O
InChIInChI=1S/C15H20O4/c1-4-10-9(3)13(17)8(2)7-15(10)11(14(18)19)5-6-12(15)16/h8,11H,4-7H2,1-3H3,(H,18,19)/t8-,11-,15-/m0/s1
InChIKeyLFDLVXYMKUPPOT-CYBUAMNDSA-N
MW264.32 g/mol
LogP2.37
Rot. Bonds2

About (1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid

(1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid (PubChem CID 23635065) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid
PubChem CID23635065
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid
SMILESCCC1=C(C)C(=O)[C@@H](C)C[C@]12C(=O)CC[C@H]2C(=O)O
InChIInChI=1S/C15H20O4/c1-4-10-9(3)13(17)8(2)7-15(10)11(14(18)19)5-6-12(15)16/h8,11H,4-7H2,1-3H3,(H,18,19)/t8-,11-,15-/m0/s1
InChIKeyLFDLVXYMKUPPOT-CYBUAMNDSA-N
XLogP2.37
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid?
The IUPAC name of (1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid (CID 23635065) is (1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid.
What is the SMILES notation for (1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid?
The canonical SMILES for (1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid is CCC1=C(C)C(=O)[C@@H](C)C[C@]12C(=O)CC[C@H]2C(=O)O.
What is the InChIKey of (1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid?
The InChIKey is LFDLVXYMKUPPOT-CYBUAMNDSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-10-9(3)13(17)8(2)7-15(10)11(14(18)19)5-6-12(15)16/h8,11H,4-7H2,1-3H3,(H,18,19)/t8-,11-,15-/m0/s1.
What are the key properties of (1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid?
(1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S)-10-ethyl-7,9-dimethyl-4,8-dioxospiro[4.5]dec-9-ene-1-carboxylic acid is sourced from PubChem (CID 23635065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).