(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal

C27H54O6Si2 — CID 11145860

IUPAC(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal
SMILESCC1(C)O[C@@H](CCC=O)[C@H](CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C27H54O6Si2/c1-25(2,3)34(9,10)32-23(16-14-20-29)24(33-35(11,12)26(4,5)6)18-17-22-21(15-13-19-28)30-27(7,8)31-22/h19-24H,13-18H2,1-12H3/t21-,22-,23+,24+/m0/s1
InChIKeyHXQSEEPYDXRIBZ-CJRSTVEYSA-N
MW530.90 g/mol
LogP7.03
Rot. Bonds14

About (4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal

(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal (PubChem CID 11145860) has the molecular formula C27H54O6Si2 and a molecular weight of 530.90 g/mol. Its IUPAC name is (4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal.

Molecular Properties

Compound Name(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal
PubChem CID11145860
Molecular FormulaC27H54O6Si2
Molecular Weight530.90 g/mol
Exact Mass530.35
IUPAC Name(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal
SMILESCC1(C)O[C@@H](CCC=O)[C@H](CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C27H54O6Si2/c1-25(2,3)34(9,10)32-23(16-14-20-29)24(33-35(11,12)26(4,5)6)18-17-22-21(15-13-19-28)30-27(7,8)31-22/h19-24H,13-18H2,1-12H3/t21-,22-,23+,24+/m0/s1
InChIKeyHXQSEEPYDXRIBZ-CJRSTVEYSA-N
XLogP7.03
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.90
LogP ≤ 57.03
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 (4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 15596056
ethyl 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 44515757
3-[(4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanal
CID 134838324
ethyl 3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 135028246
2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 89338520
(7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)decan-3-one
CID 153499438
(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
(12R)-12-(2-trimethylsilylethoxymethoxy)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]dodecanal
CID 10771484
(5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one
CID 10839661
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]octanal
CID 10949071
(5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one
CID 10962366
(4S,5R)-2,2-dimethyl-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-dioxolane-4-carbaldehyde
CID 10984591

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal?
The IUPAC name of (4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal (CID 11145860) is (4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal.
What is the SMILES notation for (4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal?
The canonical SMILES for (4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal is CC1(C)O[C@@H](CCC=O)[C@H](CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal?
The InChIKey is HXQSEEPYDXRIBZ-CJRSTVEYSA-N. The full InChI is InChI=1S/C27H54O6Si2/c1-25(2,3)34(9,10)32-23(16-14-20-29)24(33-35(11,12)26(4,5)6)18-17-22-21(15-13-19-28)30-27(7,8)31-22/h19-24H,13-18H2,1-12H3/t21-,22-,23+,24+/m0/s1.
What are the key properties of (4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal?
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal has a molecular weight of 530.90 g/mol, XLogP of 7.03, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal is sourced from PubChem (CID 11145860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).