1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one

C16H24O3 — CID 20668763

IUPAC1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
SMILESCC1=C2CCC3(OCCO3)C(C)C2(C)C(C)CC1=O
InChIInChI=1S/C16H24O3/c1-10-9-14(17)11(2)13-5-6-16(18-7-8-19-16)12(3)15(10,13)4/h10,12H,5-9H2,1-4H3
InChIKeyLKWPIGIRKYHRIJ-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.09
Rot. Bonds

About 1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one

1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one (PubChem CID 20668763) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one.

Molecular Properties

Compound Name1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
PubChem CID20668763
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
SMILESCC1=C2CCC3(OCCO3)C(C)C2(C)C(C)CC1=O
InChIInChI=1S/C16H24O3/c1-10-9-14(17)11(2)13-5-6-16(18-7-8-19-16)12(3)15(10,13)4/h10,12H,5-9H2,1-4H3
InChIKeyLKWPIGIRKYHRIJ-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one with MolForge

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Related Compounds

(4aS,8aS)-3,4a,8,8-tetramethyl-4-[2-(oxolan-3-yl)ethyl]-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
CID 162671195
Armatin E
CID 11357545
(4'aS)-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 10879118
(4'aR)-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 11817214
4'a-prop-2-enylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 359242
(1S,3aS,9S,9aS,9bR)-3a-methoxy-1,9,9a-trimethyl-2,4,5,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-7-one
CID 53248001
(1S,2S,3aS,9S,9aS,9bR)-2-methoxy-1,9,9a-trimethyl-1,2,3a,4,5,8,9,9b-octahydrobenzo[e][1]benzofuran-7-one
CID 53248114
(4'aR)-1',4'a-dimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 10933480
(4'bS,8'aR,10'aR)-4'b,8',8',10'a-tetramethylspiro[1,3-dioxolane-2,7'-3,5,6,8a,9,10-hexahydro-2H-phenanthrene]-1'-one
CID 11809307
(4'aR,8'aS)-8'a-methylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one
CID 11514083
(4'aS,8'aS)-4',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-2H-naphthalene]-1'-one
CID 14315381
4a-Methyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 14352391

Frequently Asked Questions

What is the IUPAC name of 1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one?
The IUPAC name of 1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one (CID 20668763) is 1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one.
What is the SMILES notation for 1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one?
The canonical SMILES for 1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one is CC1=C2CCC3(OCCO3)C(C)C2(C)C(C)CC1=O.
What is the InChIKey of 1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one?
The InChIKey is LKWPIGIRKYHRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10-9-14(17)11(2)13-5-6-16(18-7-8-19-16)12(3)15(10,13)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one?
1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one has a molecular weight of 264.36 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',4',4'a,5'-tetramethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one is sourced from PubChem (CID 20668763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).