2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate

C19H24O5S — CID 71129565

IUPAC2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate
SMILESCC1=C(CSCC(=O)OCCO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
InChIInChI=1S/C19H24O5S/c1-11-8-13-16(14(11)9-25-10-15(21)24-7-6-20)12(2)19(4-5-19)18(3,23)17(13)22/h8,20,23H,4-7,9-10H2,1-3H3/t18-/m0/s1
InChIKeyFDZADXIMDIPEMZ-SFHVURJKSA-N
MW364.46 g/mol
LogP1.94
Rot. Bonds6

About 2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate

2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate (PubChem CID 71129565) has the molecular formula C19H24O5S and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate
PubChem CID71129565
Molecular FormulaC19H24O5S
Molecular Weight364.46 g/mol
Exact Mass364.13
IUPAC Name2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate
SMILESCC1=C(CSCC(=O)OCCO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
InChIInChI=1S/C19H24O5S/c1-11-8-13-16(14(11)9-25-10-15(21)24-7-6-20)12(2)19(4-5-19)18(3,23)17(13)22/h8,20,23H,4-7,9-10H2,1-3H3/t18-/m0/s1
InChIKeyFDZADXIMDIPEMZ-SFHVURJKSA-N
XLogP1.94
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate?
The IUPAC name of 2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate (CID 71129565) is 2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate.
What is the SMILES notation for 2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate?
The canonical SMILES for 2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate is CC1=C(CSCC(=O)OCCO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1.
What is the InChIKey of 2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate?
The InChIKey is FDZADXIMDIPEMZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24O5S/c1-11-8-13-16(14(11)9-25-10-15(21)24-7-6-20)12(2)19(4-5-19)18(3,23)17(13)22/h8,20,23H,4-7,9-10H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate?
2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate has a molecular weight of 364.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate is sourced from PubChem (CID 71129565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).