1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol

C11H20O2Si — CID 45094294

IUPAC1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol
SMILESCCOC1(C(O)C#C[Si](C)(C)C)CC1
InChIInChI=1S/C11H20O2Si/c1-5-13-11(7-8-11)10(12)6-9-14(2,3)4/h10,12H,5,7-8H2,1-4H3
InChIKeyCDSXVMWQQKBPSB-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.80
Rot. Bonds3

About 1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol

1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 45094294) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol
PubChem CID45094294
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol
SMILESCCOC1(C(O)C#C[Si](C)(C)C)CC1
InChIInChI=1S/C11H20O2Si/c1-5-13-11(7-8-11)10(12)6-9-14(2,3)4/h10,12H,5,7-8H2,1-4H3
InChIKeyCDSXVMWQQKBPSB-UHFFFAOYSA-N
XLogP1.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116754852
1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol
CID 11805656
(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
1-(1-ethoxycycloheptyl)but-3-en-1-ol
CID 116756161
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol
CID 116754270
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754344
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol
CID 116755417
(1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol
CID 101239882

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of 1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol (CID 45094294) is 1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for 1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for 1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol is CCOC1(C(O)C#C[Si](C)(C)C)CC1.
What is the InChIKey of 1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is CDSXVMWQQKBPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-5-13-11(7-8-11)10(12)6-9-14(2,3)4/h10,12H,5,7-8H2,1-4H3.
What are the key properties of 1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol?
1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 212.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 45094294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).