(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C16H32O4Si — CID 73056735

IUPAC(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C=O
InChIInChI=1S/C16H32O4Si/c1-9-10-12(20-21(7,8)15(2,3)4)14-13(11-17)18-16(5,6)19-14/h11-14H,9-10H2,1-8H3/t12-,13-,14-/m1/s1
InChIKeyOGVIWCUROHJGNE-MGPQQGTHSA-N
MW316.51 g/mol
LogP3.90
Rot. Bonds6

About (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 73056735) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID73056735
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C=O
InChIInChI=1S/C16H32O4Si/c1-9-10-12(20-21(7,8)15(2,3)4)14-13(11-17)18-16(5,6)19-14/h11-14H,9-10H2,1-8H3/t12-,13-,14-/m1/s1
InChIKeyOGVIWCUROHJGNE-MGPQQGTHSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.90
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'}

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Related Compounds

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11305043
methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587266
(4r,5s)-Ethyl 5-[(s)-3-(t-butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 129843423
1-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134839849
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde
CID 134887006
(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 164670629
1-[(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-iodoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 157261517
CID 170946192
CID 170946192
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-[(2R,3S)-2-methyl-1,4-dioxaspiro[4.4]nonan-3-yl]propanal
CID 10861275
(4S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10926862
(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10958008
(2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde
CID 10981227

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 73056735) is (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C=O.
What is the InChIKey of (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is OGVIWCUROHJGNE-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-9-10-12(20-21(7,8)15(2,3)4)14-13(11-17)18-16(5,6)19-14/h11-14H,9-10H2,1-8H3/t12-,13-,14-/m1/s1.
What are the key properties of (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 316.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 73056735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).