trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde

C12H20OSi — CID 101130734

IUPACtrans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde
SMILESC[Si](C)(C)C#C[C@@H]1CCCC[C@H]1C=O
InChIInChI=1S/C12H20OSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h10-12H,4-7H2,1-3H3/t11-,12-/m0/s1
InChIKeySHGNPSOMUYLRKL-RYUDHWBXSA-N
MW208.38 g/mol
LogP2.87
Rot. Bonds1

About trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde

trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde (PubChem CID 101130734) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde
PubChem CID101130734
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Nametrans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde
SMILESC[Si](C)(C)C#C[C@@H]1CCCC[C@H]1C=O
InChIInChI=1S/C12H20OSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h10-12H,4-7H2,1-3H3/t11-,12-/m0/s1
InChIKeySHGNPSOMUYLRKL-RYUDHWBXSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.87
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

trimethyl-[2-[(1S,2R)-2-prop-2-enylcyclohexyl]ethynyl]silane
CID 11264500
(1R)-2-(2-trimethylsilylethynyl)cyclopentan-1-ol
CID 59467082
methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde
CID 142164429
cis-(1R,2S)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde
CID 156686181
4-(2-trimethylsilylethynyl)azetidin-2-one
CID 10103534
(1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde
CID 173500000
2-(methylamino)cyclohexane-1-carbaldehyde
CID 22969368
cis-(1S,2S)-2-aminocyclohexane-1-carbaldehyde
CID 102087752
2-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 172552152
(4R)-4-(2-trimethylsilylethynyl)oxetan-2-one
CID 11298189
2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
CID 88851779
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde?
The IUPAC name of trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde (CID 101130734) is trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde is C[Si](C)(C)C#C[C@@H]1CCCC[C@H]1C=O.
What is the InChIKey of trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde?
The InChIKey is SHGNPSOMUYLRKL-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H20OSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h10-12H,4-7H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde?
trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde has a molecular weight of 208.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-trimethylsilylethynyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 101130734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).