[(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate

C18H24O6 — CID 10711902

IUPAC[(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate
SMILESCC(=O)OCC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12COC(=O)O2
InChIInChI=1S/C18H24O6/c1-11(19)22-9-12-8-13(20)14-16(2,3)6-5-7-17(14,4)18(12)10-23-15(21)24-18/h8,14H,5-7,9-10H2,1-4H3/t14-,17-,18+/m0/s1
InChIKeyNLKNGACIRWWZJQ-JCGIZDLHSA-N
MW336.38 g/mol
LogP2.80
Rot. Bonds2

About [(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate

[(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate (PubChem CID 10711902) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is [(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate.

Molecular Properties

Compound Name[(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate
PubChem CID10711902
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name[(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate
SMILESCC(=O)OCC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12COC(=O)O2
InChIInChI=1S/C18H24O6/c1-11(19)22-9-12-8-13(20)14-16(2,3)6-5-7-17(14,4)18(12)10-23-15(21)24-18/h8,14H,5-7,9-10H2,1-4H3/t14-,17-,18+/m0/s1
InChIKeyNLKNGACIRWWZJQ-JCGIZDLHSA-N
XLogP2.80
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-Formyloreadone
CID 14433042
[(1S,3R,6aS,7R,8R,10aS)-1-acetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-5-oxo-3,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-yl] acetate
CID 76314545
6-dehydroxy-6-oxopereniporin A
CID 139590034
[(1R,5aS,9aS,9bR)-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[g][2]benzofuran-1-yl] acetate
CID 10827493
(4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-hydroxy-4-propan-2-yloxolan-2-one
CID 10830575
Methyl 2-(2',4,4,7,8a-pentamethyl-5-oxospiro[1,2,3,4a-tetrahydronaphthalene-8,5'-oxolane]-2'-yl)acetate
CID 13918353
(6aR,7R,8S,10aS)-7,8-dimethyl-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-3,9-dione
CID 21632613
(6aR,7R,8S,10aS)-7,8-dimethyl-7-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-3,9-dione
CID 101666156
(1R,5aS,9aS,9bR)-1-ethoxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one
CID 163193444
2,5,5,8a-tetramethyl-4a,5,6,7,8,8a-hexahydro-4H-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-4,5''-dione
CID 57509499
[(1S,3R,6aS,7R,8R,10aS)-1-acetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-5-oxo-3,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-yl] butanoate
CID 101888547
[(1S,3R,6aS,7R,8R,10aS)-1-acetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-5-oxo-3,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-yl] acetate
CID 122180083

Frequently Asked Questions

What is the IUPAC name of [(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate?
The IUPAC name of [(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate (CID 10711902) is [(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate.
What is the SMILES notation for [(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate?
The canonical SMILES for [(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate is CC(=O)OCC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12COC(=O)O2.
What is the InChIKey of [(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate?
The InChIKey is NLKNGACIRWWZJQ-JCGIZDLHSA-N. The full InChI is InChI=1S/C18H24O6/c1-11(19)22-9-12-8-13(20)14-16(2,3)6-5-7-17(14,4)18(12)10-23-15(21)24-18/h8,14H,5-7,9-10H2,1-4H3/t14-,17-,18+/m0/s1.
What are the key properties of [(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate?
[(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate has a molecular weight of 336.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,4'aS,8'aS)-5',5',8'a-trimethyl-2,4'-dioxospiro[1,3-dioxolane-4,1'-4a,6,7,8-tetrahydronaphthalene]-2'-yl]methyl acetate is sourced from PubChem (CID 10711902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).