cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde

C19H28O4SSi — CID 46187576

IUPACcis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@]1(C=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H28O4SSi/c1-15(23-25(5,6)18(2,3)4)17-12-13-19(17,14-20)24(21,22)16-10-8-7-9-11-16/h7-11,14,17H,1,12-13H2,2-6H3/t17-,19-/m1/s1
InChIKeyVVZNEOWMJOQFGV-IEBWSBKVSA-N
MW380.58 g/mol
LogP4.34
Rot. Bonds6

About cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde

cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde (PubChem CID 46187576) has the molecular formula C19H28O4SSi and a molecular weight of 380.58 g/mol. Its IUPAC name is cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde
PubChem CID46187576
Molecular FormulaC19H28O4SSi
Molecular Weight380.58 g/mol
Exact Mass380.15
IUPAC Namecis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@]1(C=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H28O4SSi/c1-15(23-25(5,6)18(2,3)4)17-12-13-19(17,14-20)24(21,22)16-10-8-7-9-11-16/h7-11,14,17H,1,12-13H2,2-6H3/t17-,19-/m1/s1
InChIKeyVVZNEOWMJOQFGV-IEBWSBKVSA-N
XLogP4.34
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-1-(benzenesulfonyl)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]cyclobutane-1-carbaldehyde
CID 134956394
(4R,5R,6R)-(+)-2-Benzenesulfonyl-4-(t-butyldimethylsilyloxy)-5,6-dimethyl-2-cyclohexen-1-one
CID 11036671
(4R,6R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylcyclohex-2-en-1-one
CID 53809347
3-(Benzenesulfonyl)propoxy-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one
CID 161331268
1-(Benzenesulfonyl)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-one
CID 11760799
cis-(3S,5R)-3-(benzenesulfonylmethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 101223021
3-[(1S,2S,6S)-2-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]propanal
CID 102294081

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde (CID 46187576) is cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde is C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@]1(C=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde?
The InChIKey is VVZNEOWMJOQFGV-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H28O4SSi/c1-15(23-25(5,6)18(2,3)4)17-12-13-19(17,14-20)24(21,22)16-10-8-7-9-11-16/h7-11,14,17H,1,12-13H2,2-6H3/t17-,19-/m1/s1.
What are the key properties of cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde?
cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde has a molecular weight of 380.58 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-(benzenesulfonyl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]cyclobutane-1-carbaldehyde is sourced from PubChem (CID 46187576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).