ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate

C23H40O6Si — CID 102210198

IUPACethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate
SMILESCCOC(=O)C1=CC(=O)[C@H](C)[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O2)O1
InChIInChI=1S/C23H40O6Si/c1-11-26-21(25)18-12-17(24)16(5)23(27-18)13-19(15(4)20(28-23)14(2)3)29-30(9,10)22(6,7)8/h12,14-16,19-20H,11,13H2,1-10H3/t15-,16-,19+,20+,23+/m0/s1
InChIKeyUACWZNUKHPYZGF-CNVCQNNASA-N
MW440.65 g/mol
LogP4.84
Rot. Bonds5

About ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate

ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate (PubChem CID 102210198) has the molecular formula C23H40O6Si and a molecular weight of 440.65 g/mol. Its IUPAC name is ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate
PubChem CID102210198
Molecular FormulaC23H40O6Si
Molecular Weight440.65 g/mol
Exact Mass440.26
IUPAC Nameethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate
SMILESCCOC(=O)C1=CC(=O)[C@H](C)[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O2)O1
InChIInChI=1S/C23H40O6Si/c1-11-26-21(25)18-12-17(24)16(5)23(27-18)13-19(15(4)20(28-23)14(2)3)29-30(9,10)22(6,7)8/h12,14-16,19-20H,11,13H2,1-10H3/t15-,16-,19+,20+,23+/m0/s1
InChIKeyUACWZNUKHPYZGF-CNVCQNNASA-N
XLogP4.84
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.65
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-9-methyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate
CID 11235666
ethyl (Z)-5-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]-2-hydroxy-4-oxopent-2-enoate
CID 134969857
Ethyl 10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate
CID 134969858
ethyl (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,5,9-trimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate
CID 134969883
(2S,4R,4aS,10bR)-8-butyl-2-methoxy-9-propan-2-yloxy-4-[tri(propan-2-yl)silyloxymethyl]-1,2,4,4a,6,10b-hexahydropyrano[3,4-c]isochromene-7,10-dione
CID 10007740
(E,3R,4S,8S,9S,12R)-12-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-4-methoxy-2,8-dimethyl-3,9-bis(triethylsilyloxy)tridec-5-en-7-one
CID 10033267
(1S,3R,4S,7S,9S,11S)-3,9-dimethoxy-4,11-bis(methoxymethoxy)-12,12-dimethyl-7-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]-6,17-dioxabicyclo[11.3.1]heptadec-13-ene-5,15-dione
CID 11308666
ethyl (Z)-5-[(2R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]-2-hydroxy-4-oxopent-2-enoate
CID 11351598
(1R,2S,4R,4aS,10bR)-8-butyl-1-deuterio-2-methoxy-9-propan-2-yloxy-4-[tri(propan-2-yl)silyloxymethyl]-1,2,4,4a,6,10b-hexahydropyrano[3,4-c]isochromene-7,10-dione
CID 11757327
(1S,3S,4S,7S,9S,11S)-3,9-dimethoxy-4,11-bis(methoxymethoxy)-12,12-dimethyl-7-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]-6,17-dioxabicyclo[11.3.1]heptadec-13-ene-5,15-dione
CID 15974851
dimethyl (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-3-methyl-2-pentyl-2,4-dihydropyran-5,6-dicarboxylate
CID 54672631
(E,3R,4S,8S,9S,12R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-12-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-4-methoxy-2,8-dimethyltridec-5-en-7-one
CID 101263475

Frequently Asked Questions

What is the IUPAC name of ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate?
The IUPAC name of ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate (CID 102210198) is ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate.
What is the SMILES notation for ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate?
The canonical SMILES for ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate is CCOC(=O)C1=CC(=O)[C@H](C)[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O2)O1.
What is the InChIKey of ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate?
The InChIKey is UACWZNUKHPYZGF-CNVCQNNASA-N. The full InChI is InChI=1S/C23H40O6Si/c1-11-26-21(25)18-12-17(24)16(5)23(27-18)13-19(15(4)20(28-23)14(2)3)29-30(9,10)22(6,7)8/h12,14-16,19-20H,11,13H2,1-10H3/t15-,16-,19+,20+,23+/m0/s1.
What are the key properties of ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate?
ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate has a molecular weight of 440.65 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate is sourced from PubChem (CID 102210198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).