(5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde

C17H32O4Si — CID 11573455

IUPAC(5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
SMILESC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O[C@]2(CCCO2)[C@H]1C
InChIInChI=1S/C17H32O4Si/c1-12-13(2)17(9-8-10-19-17)20-14(11-18)15(12)21-22(6,7)16(3,4)5/h11-15H,8-10H2,1-7H3/t12-,13-,14-,15+,17+/m0/s1
InChIKeyPZHHIJDDESACSE-NBFUAULTSA-N
MW328.53 g/mol
LogP3.75
Rot. Bonds3

About (5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde

(5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde (PubChem CID 11573455) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde.

Molecular Properties

Compound Name(5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
PubChem CID11573455
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
SMILESC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O[C@]2(CCCO2)[C@H]1C
InChIInChI=1S/C17H32O4Si/c1-12-13(2)17(9-8-10-19-17)20-14(11-18)15(12)21-22(6,7)16(3,4)5/h11-15H,8-10H2,1-7H3/t12-,13-,14-,15+,17+/m0/s1
InChIKeyPZHHIJDDESACSE-NBFUAULTSA-N
XLogP3.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde with MolForge

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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
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxane-2-carbaldehyde
CID 88353211
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
(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
(5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
CID 11311460

Frequently Asked Questions

What is the IUPAC name of (5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
The IUPAC name of (5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde (CID 11573455) is (5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde.
What is the SMILES notation for (5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
The canonical SMILES for (5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde is C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)O[C@]2(CCCO2)[C@H]1C.
What is the InChIKey of (5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
The InChIKey is PZHHIJDDESACSE-NBFUAULTSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-12-13(2)17(9-8-10-19-17)20-14(11-18)15(12)21-22(6,7)16(3,4)5/h11-15H,8-10H2,1-7H3/t12-,13-,14-,15+,17+/m0/s1.
What are the key properties of (5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
(5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde has a molecular weight of 328.53 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde is sourced from PubChem (CID 11573455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).