cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde

C13H22OSi — CID 134995405

IUPACcis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde
SMILESCCCCC#C[C@@]1([Si](C)(C)C)C[C@H]1C=O
InChIInChI=1S/C13H22OSi/c1-5-6-7-8-9-13(15(2,3)4)10-12(13)11-14/h11-12H,5-7,10H2,1-4H3/t12-,13+/m0/s1
InChIKeySMRSTDJTBQGGCB-QWHCGFSZSA-N
MW222.40 g/mol
LogP3.48
Rot. Bonds4

About cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde

cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde (PubChem CID 134995405) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde
PubChem CID134995405
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Namecis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde
SMILESCCCCC#C[C@@]1([Si](C)(C)C)C[C@H]1C=O
InChIInChI=1S/C13H22OSi/c1-5-6-7-8-9-13(15(2,3)4)10-12(13)11-14/h11-12H,5-7,10H2,1-4H3/t12-,13+/m0/s1
InChIKeySMRSTDJTBQGGCB-QWHCGFSZSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-(Trimethylsilyl)ethynyl)cyclopropane-1-carbaldehyde
CID 11805133
(2R)-2-methyl-5-trimethylsilylpent-4-ynal
CID 59125851
(3R)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal
CID 138980713
5-Hexynal, 6-(trimethylsilyl)-
CID 11116456
(4R)-4-methyl-7-trimethylsilylhept-6-ynal
CID 11446914
(3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal
CID 11492566
(3S)-3-methyl-6-trimethylsilylhex-5-ynal
CID 11513871
cis-(1R,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde
CID 14115191
trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]carbonylcyclopropane-1-carbaldehyde
CID 14115192
(3S)-3-methyl-5-trimethylsilylpent-4-ynal
CID 16050206
1-Deuterio-3-methyl-5-trimethylsilylpent-4-yn-1-one
CID 16082171
(2S)-2-methyl-5-trimethylsilylpent-4-ynal
CID 56954069

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde (CID 134995405) is cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde is CCCCC#C[C@@]1([Si](C)(C)C)C[C@H]1C=O.
What is the InChIKey of cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde?
The InChIKey is SMRSTDJTBQGGCB-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H22OSi/c1-5-6-7-8-9-13(15(2,3)4)10-12(13)11-14/h11-12H,5-7,10H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde?
cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde has a molecular weight of 222.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-hex-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 134995405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).