cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde

C15H26OSi — CID 156686179

IUPACcis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde
SMILESCC(C)[Si](C#C[C@@H]1C[C@@H]1C=O)(C(C)C)C(C)C
InChIInChI=1S/C15H26OSi/c1-11(2)17(12(3)4,13(5)6)8-7-14-9-15(14)10-16/h10-15H,9H2,1-6H3/t14-,15-/m1/s1
InChIKeyRBCRQNJKOVQWLU-HUUCEWRRSA-N
MW250.46 g/mol
LogP4.04
Rot. Bonds4

About cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde

cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde (PubChem CID 156686179) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde
PubChem CID156686179
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Namecis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde
SMILESCC(C)[Si](C#C[C@@H]1C[C@@H]1C=O)(C(C)C)C(C)C
InChIInChI=1S/C15H26OSi/c1-11(2)17(12(3)4,13(5)6)8-7-14-9-15(14)10-16/h10-15H,9H2,1-6H3/t14-,15-/m1/s1
InChIKeyRBCRQNJKOVQWLU-HUUCEWRRSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde (CID 156686179) is cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde is CC(C)[Si](C#C[C@@H]1C[C@@H]1C=O)(C(C)C)C(C)C.
What is the InChIKey of cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde?
The InChIKey is RBCRQNJKOVQWLU-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H26OSi/c1-11(2)17(12(3)4,13(5)6)8-7-14-9-15(14)10-16/h10-15H,9H2,1-6H3/t14-,15-/m1/s1.
What are the key properties of cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde?
cis-(1S,2R)-2-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde has a molecular weight of 250.46 g/mol, XLogP of 4.04, 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-[2-tri(propan-2-yl)silylethynyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 156686179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).