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

C17H34O4Si — CID 164670629

IUPAC(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C=O)COC(C)(C)O1
InChIInChI=1S/C17H34O4Si/c1-9-10-11-14(20-22(7,8)15(2,3)4)17(12-18)13-19-16(5,6)21-17/h12,14H,9-11,13H2,1-8H3/t14-,17+/m1/s1
InChIKeyKJHNTHMRJSKFBO-PBHICJAKSA-N
MW330.54 g/mol
LogP4.29
Rot. Bonds7

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

(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 164670629) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID164670629
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C=O)COC(C)(C)O1
InChIInChI=1S/C17H34O4Si/c1-9-10-11-14(20-22(7,8)15(2,3)4)17(12-18)13-19-16(5,6)21-17/h12,14H,9-11,13H2,1-8H3/t14-,17+/m1/s1
InChIKeyKJHNTHMRJSKFBO-PBHICJAKSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.29
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

(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde
CID 134887006
(4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one
CID 10735076
(4S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11313517
(2S)-2-[(4R,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
CID 11336490
(4R,5S)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 25018183
(2S)-2-[(4R,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxypropanal
CID 44232639
(4S,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 44516070
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 53230773
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 53230885
(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 56601603
(4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 56964264
(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 73056735

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 164670629) is (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C=O)COC(C)(C)O1.
What is the InChIKey of (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is KJHNTHMRJSKFBO-PBHICJAKSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-9-10-11-14(20-22(7,8)15(2,3)4)17(12-18)13-19-16(5,6)21-17/h12,14H,9-11,13H2,1-8H3/t14-,17+/m1/s1.
What are the key properties of (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 330.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 164670629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).