5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid

C20H24O6 — CID 118440092

IUPAC5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid
SMILESCC1=C2C(=O)C(C)(COC(=O)CCCC(=O)O)C=C2C(=O)[C@@H](C)C12CC2
InChIInChI=1S/C20H24O6/c1-11-16-13(17(24)12(2)20(11)7-8-20)9-19(3,18(16)25)10-26-15(23)6-4-5-14(21)22/h9,12H,4-8,10H2,1-3H3,(H,21,22)/t12-,19?/m1/s1
InChIKeyPHZANWVDMYJHMZ-ISGGMURCSA-N
MW360.41 g/mol
LogP2.62
Rot. Bonds6

About 5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid

5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid (PubChem CID 118440092) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid
PubChem CID118440092
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid
SMILESCC1=C2C(=O)C(C)(COC(=O)CCCC(=O)O)C=C2C(=O)[C@@H](C)C12CC2
InChIInChI=1S/C20H24O6/c1-11-16-13(17(24)12(2)20(11)7-8-20)9-19(3,18(16)25)10-26-15(23)6-4-5-14(21)22/h9,12H,4-8,10H2,1-3H3,(H,21,22)/t12-,19?/m1/s1
InChIKeyPHZANWVDMYJHMZ-ISGGMURCSA-N
XLogP2.62
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid?
The IUPAC name of 5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid (CID 118440092) is 5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid?
The canonical SMILES for 5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid is CC1=C2C(=O)C(C)(COC(=O)CCCC(=O)O)C=C2C(=O)[C@@H](C)C12CC2.
What is the InChIKey of 5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid?
The InChIKey is PHZANWVDMYJHMZ-ISGGMURCSA-N. The full InChI is InChI=1S/C20H24O6/c1-11-16-13(17(24)12(2)20(11)7-8-20)9-19(3,18(16)25)10-26-15(23)6-4-5-14(21)22/h9,12H,4-8,10H2,1-3H3,(H,21,22)/t12-,19?/m1/s1.
What are the key properties of 5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid?
5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid has a molecular weight of 360.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[[(5S)-2,5,7-trimethyl-1,4-dioxospiro[5H-indene-6,1'-cyclopropane]-2-yl]methoxy]pentanoic acid is sourced from PubChem (CID 118440092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).