cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde

C16H32O2Si — CID 15450049

IUPACcis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H]1C=O
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-15(14-11-13(14)12-17)18-19(5,6)16(2,3)4/h12-15H,7-11H2,1-6H3/t13-,14+,15-/m1/s1
InChIKeyXMNMRGRQGBNURG-QLFBSQMISA-N
MW284.52 g/mol
LogP4.79
Rot. Bonds8

About cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde

cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde (PubChem CID 15450049) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde
PubChem CID15450049
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Namecis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H]1C=O
InChIInChI=1S/C16H32O2Si/c1-7-8-9-10-15(14-11-13(14)12-17)18-19(5,6)16(2,3)4/h12-15H,7-11H2,1-6H3/t13-,14+,15-/m1/s1
InChIKeyXMNMRGRQGBNURG-QLFBSQMISA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-[(tert-Butyldimethylsilyl)oxy]-4-methylheptanal
CID 129889198
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one
CID 132501472
(2S,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134930905
(2R,3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-trimethylsilyloxyoctanal
CID 134930906
(2S,3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-trimethylsilyloxyoctanal
CID 134931168
(2R,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134931618
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanal
CID 138970752
(2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 139263534
(3R,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctanal
CID 10905822
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
CID 11558306
(2S)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-methylpropanal
CID 16742650
2-butyl-7-(tert-butyldimethylsilyloxy)heptanaI
CID 18790891

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde (CID 15450049) is cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde is CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H]1C=O.
What is the InChIKey of cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde?
The InChIKey is XMNMRGRQGBNURG-QLFBSQMISA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-8-9-10-15(14-11-13(14)12-17)18-19(5,6)16(2,3)4/h12-15H,7-11H2,1-6H3/t13-,14+,15-/m1/s1.
What are the key properties of cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde?
cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde has a molecular weight of 284.52 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 15450049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).