(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde

C21H38O6Si — CID 11384450

IUPAC(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde
SMILESCCC(=O)C[C@@H]1C[C@H](OC)C[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C=O)O2)O1
InChIInChI=1S/C21H38O6Si/c1-8-15(23)9-16-10-17(24-5)12-21(25-16)13-18(11-19(14-22)26-21)27-28(6,7)20(2,3)4/h14,16-19H,8-13H2,1-7H3/t16-,17+,18+,19-,21+/m1/s1
InChIKeyWGQSQPIIVLHHFY-CWVBCOCOSA-N
MW414.62 g/mol
LogP4.01
Rot. Bonds7

About (2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde

(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde (PubChem CID 11384450) has the molecular formula C21H38O6Si and a molecular weight of 414.62 g/mol. Its IUPAC name is (2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde
PubChem CID11384450
Molecular FormulaC21H38O6Si
Molecular Weight414.62 g/mol
Exact Mass414.24
IUPAC Name(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde
SMILESCCC(=O)C[C@@H]1C[C@H](OC)C[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C=O)O2)O1
InChIInChI=1S/C21H38O6Si/c1-8-15(23)9-16-10-17(24-5)12-21(25-16)13-18(11-19(14-22)26-21)27-28(6,7)20(2,3)4/h14,16-19H,8-13H2,1-7H3/t16-,17+,18+,19-,21+/m1/s1
InChIKeyWGQSQPIIVLHHFY-CWVBCOCOSA-N
XLogP4.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde?
The IUPAC name of (2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde (CID 11384450) is (2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde.
What is the SMILES notation for (2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde?
The canonical SMILES for (2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde is CCC(=O)C[C@@H]1C[C@H](OC)C[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C=O)O2)O1.
What is the InChIKey of (2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde?
The InChIKey is WGQSQPIIVLHHFY-CWVBCOCOSA-N. The full InChI is InChI=1S/C21H38O6Si/c1-8-15(23)9-16-10-17(24-5)12-21(25-16)13-18(11-19(14-22)26-21)27-28(6,7)20(2,3)4/h14,16-19H,8-13H2,1-7H3/t16-,17+,18+,19-,21+/m1/s1.
What are the key properties of (2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde?
(2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde has a molecular weight of 414.62 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-8-(2-oxobutyl)-1,7-dioxaspiro[5.5]undecane-2-carbaldehyde is sourced from PubChem (CID 11384450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).