methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate

C20H30O6 — CID 20668789

IUPACmethyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)C1C(=O)C(C)=C2CCC3(OCCO3)C(C)C2(C)C1C
InChIInChI=1S/C20H30O6/c1-11-14-7-8-20(25-9-10-26-20)13(3)18(14,4)12(2)15(16(11)21)19(5,23)17(22)24-6/h12-13,15,23H,7-10H2,1-6H3
InChIKeyGVIJSBGQGZFRKJ-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.24
Rot. Bonds2

About methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate

methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate (PubChem CID 20668789) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate
PubChem CID20668789
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Namemethyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)C1C(=O)C(C)=C2CCC3(OCCO3)C(C)C2(C)C1C
InChIInChI=1S/C20H30O6/c1-11-14-7-8-20(25-9-10-26-20)13(3)18(14,4)12(2)15(16(11)21)19(5,23)17(22)24-6/h12-13,15,23H,7-10H2,1-6H3
InChIKeyGVIJSBGQGZFRKJ-UHFFFAOYSA-N
XLogP2.24
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate?
The IUPAC name of methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate (CID 20668789) is methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate.
What is the SMILES notation for methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate?
The canonical SMILES for methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate is COC(=O)C(C)(O)C1C(=O)C(C)=C2CCC3(OCCO3)C(C)C2(C)C1C.
What is the InChIKey of methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate?
The InChIKey is GVIJSBGQGZFRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O6/c1-11-14-7-8-20(25-9-10-26-20)13(3)18(14,4)12(2)15(16(11)21)19(5,23)17(22)24-6/h12-13,15,23H,7-10H2,1-6H3.
What are the key properties of methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate?
methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate has a molecular weight of 366.45 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1',4',8',8'a-tetramethyl-3'-oxospiro[1,3-dioxolane-2,7'-2,5,6,8-tetrahydro-1H-naphthalene]-2'-yl)-2-hydroxypropanoate is sourced from PubChem (CID 20668789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).