(3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde

C22H42O6Si — CID 11774767

IUPAC(3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
SMILESCOCO[C@@H]1[C@@H](C)[C@H](C)[C@@]2(C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CO2)O[C@H]1C=O
InChIInChI=1S/C22H42O6Si/c1-14(2)29(15(3)4,16(5)6)28-19-10-22(26-12-19)18(8)17(7)21(25-13-24-9)20(11-23)27-22/h11,14-21H,10,12-13H2,1-9H3/t17-,18-,19-,20-,21+,22+/m0/s1
InChIKeyAHDNPSWVGPZTBM-PCPGVINSSA-N
MW430.66 g/mol
LogP4.52
Rot. Bonds9

About (3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde

(3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde (PubChem CID 11774767) has the molecular formula C22H42O6Si and a molecular weight of 430.66 g/mol. Its IUPAC name is (3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde.

Molecular Properties

Compound Name(3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
PubChem CID11774767
Molecular FormulaC22H42O6Si
Molecular Weight430.66 g/mol
Exact Mass430.28
IUPAC Name(3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
SMILESCOCO[C@@H]1[C@@H](C)[C@H](C)[C@@]2(C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CO2)O[C@H]1C=O
InChIInChI=1S/C22H42O6Si/c1-14(2)29(15(3)4,16(5)6)28-19-10-22(26-12-19)18(8)17(7)21(25-13-24-9)20(11-23)27-22/h11,14-21H,10,12-13H2,1-9H3/t17-,18-,19-,20-,21+,22+/m0/s1
InChIKeyAHDNPSWVGPZTBM-PCPGVINSSA-N
XLogP4.52
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 54.52
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4S,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanal
CID 21638349
(2S,3R,4R,6R)-6-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-ethyl-3-(methoxymethoxy)-4-methylheptanal
CID 25052809
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,4-dimethylpentan-1-one
CID 21604455
methyl (4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]-2-methoxy-5-methyloxane-2-carboxylate
CID 89715581
2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 175882106
(2R)-3-[(2S,3R)-2-[(1R,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxybutyl]-5-methoxyoxolan-3-yl]-2-methylpropanal
CID 10391905
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetaldehyde
CID 10530043
(1S,4R,5S,7R)-4-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-1,7-dimethyl-8-oxabicyclo[3.2.1]octan-3-one
CID 10711395
2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde
CID 10907405
2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde
CID 10907677
ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate
CID 11080520
2-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11308056

Frequently Asked Questions

What is the IUPAC name of (3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
The IUPAC name of (3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde (CID 11774767) is (3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde.
What is the SMILES notation for (3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
The canonical SMILES for (3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde is COCO[C@@H]1[C@@H](C)[C@H](C)[C@@]2(C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CO2)O[C@H]1C=O.
What is the InChIKey of (3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
The InChIKey is AHDNPSWVGPZTBM-PCPGVINSSA-N. The full InChI is InChI=1S/C22H42O6Si/c1-14(2)29(15(3)4,16(5)6)28-19-10-22(26-12-19)18(8)17(7)21(25-13-24-9)20(11-23)27-22/h11,14-21H,10,12-13H2,1-9H3/t17-,18-,19-,20-,21+,22+/m0/s1.
What are the key properties of (3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
(3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde has a molecular weight of 430.66 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde is sourced from PubChem (CID 11774767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).