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

C11H18OSi — CID 130883505

IUPACcis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde
SMILESCCC#C[C@@]1([Si](C)(C)C)C[C@H]1C=O
InChIInChI=1S/C11H18OSi/c1-5-6-7-11(13(2,3)4)8-10(11)9-12/h9-10H,5,8H2,1-4H3/t10-,11+/m0/s1
InChIKeyZKOMBGQACIWBPD-WDEREUQCSA-N
MW194.35 g/mol
LogP2.70
Rot. Bonds2

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

cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde (PubChem CID 130883505) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde
PubChem CID130883505
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Namecis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde
SMILESCCC#C[C@@]1([Si](C)(C)C)C[C@H]1C=O
InChIInChI=1S/C11H18OSi/c1-5-6-7-11(13(2,3)4)8-10(11)9-12/h9-10H,5,8H2,1-4H3/t10-,11+/m0/s1
InChIKeyZKOMBGQACIWBPD-WDEREUQCSA-N
XLogP2.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde (CID 130883505) is cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde is CCC#C[C@@]1([Si](C)(C)C)C[C@H]1C=O.
What is the InChIKey of cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde?
The InChIKey is ZKOMBGQACIWBPD-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18OSi/c1-5-6-7-11(13(2,3)4)8-10(11)9-12/h9-10H,5,8H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde?
cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde has a molecular weight of 194.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-but-1-ynyl-2-trimethylsilylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 130883505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).