[(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate

C19H32O6 — CID 101205703

IUPAC[(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate
SMILESCC(=O)OC[C@H]1C[C@@H](C)C[C@@H](C)[C@@H](OC(C)=O)C12O[C@H](C)C[C@H](C)O2
InChIInChI=1S/C19H32O6/c1-11-7-12(2)18(23-16(6)21)19(17(8-11)10-22-15(5)20)24-13(3)9-14(4)25-19/h11-14,17-18H,7-10H2,1-6H3/t11-,12+,13-,14+,17+,18+,19?/m0/s1
InChIKeyNZGCYAXIDYSSPO-OGRPGIFISA-N
MW356.46 g/mol
LogP3.07
Rot. Bonds3

About [(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate

[(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate (PubChem CID 101205703) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is [(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate
PubChem CID101205703
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name[(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate
SMILESCC(=O)OC[C@H]1C[C@@H](C)C[C@@H](C)[C@@H](OC(C)=O)C12O[C@H](C)C[C@H](C)O2
InChIInChI=1S/C19H32O6/c1-11-7-12(2)18(23-16(6)21)19(17(8-11)10-22-15(5)20)24-13(3)9-14(4)25-19/h11-14,17-18H,7-10H2,1-6H3/t11-,12+,13-,14+,17+,18+,19?/m0/s1
InChIKeyNZGCYAXIDYSSPO-OGRPGIFISA-N
XLogP3.07
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate with MolForge

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Related Compounds

[(2R,4S,7S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate
CID 101366336
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 134202816
[(1R,2R,4S)-2,4-dimethylcyclohexyl]methyl acetate
CID 7367089
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-amino-6-hydroxyoxan-2-yl]methyl acetate
CID 70565465
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-bromoethyl)-6-hydroxyoxan-2-yl]methyl acetate
CID 70529003
[(2R,3R,4R,5R,6S)-6-acetyl-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 102050378
[(2R,3R,4S,5R,6R)-6-acetyl-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 69227069
[(2R,3R,4R,5S)-3,4,5-triacetyloxy-5-methyloxolan-2-yl]methyl acetate
CID 70022202
[(1R,2R,3S,4S)-2,3,4,5-tetraacetyloxycyclohexyl]methyl acetate
CID 153447573
(8,9-diacetyloxy-2,2-dimethyl-1,3,6-trioxaspiro[4.4]nonan-7-yl)methyl acetate
CID 74037994
(3,4,5-triacetyloxy-6-carbamoyl-6-hydroxyoxan-2-yl)methyl acetate
CID 85395163
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-hydroxy-6-hydroxysulfanyloxan-2-yl]methyl acetate
CID 90799321

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate?
The IUPAC name of [(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate (CID 101205703) is [(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate.
What is the SMILES notation for [(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate?
The canonical SMILES for [(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate is CC(=O)OC[C@H]1C[C@@H](C)C[C@@H](C)[C@@H](OC(C)=O)C12O[C@H](C)C[C@H](C)O2.
What is the InChIKey of [(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate?
The InChIKey is NZGCYAXIDYSSPO-OGRPGIFISA-N. The full InChI is InChI=1S/C19H32O6/c1-11-7-12(2)18(23-16(6)21)19(17(8-11)10-22-15(5)20)24-13(3)9-14(4)25-19/h11-14,17-18H,7-10H2,1-6H3/t11-,12+,13-,14+,17+,18+,19?/m0/s1.
What are the key properties of [(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate?
[(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate has a molecular weight of 356.46 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate is sourced from PubChem (CID 101205703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).