2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane

C11H20O2Si — CID 45094288

IUPAC2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane
SMILESCCO[C@H]1C[C@]1(C#C[Si](C)(C)C)OC
InChIInChI=1S/C11H20O2Si/c1-6-13-10-9-11(10,12-2)7-8-14(3,4)5/h10H,6,9H2,1-5H3/t10-,11-/m0/s1
InChIKeyDFTPFAHZDJULNW-QWRGUYRKSA-N
MW212.36 g/mol
LogP2.06
Rot. Bonds3

About 2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane

2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane (PubChem CID 45094288) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane
PubChem CID45094288
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane
SMILESCCO[C@H]1C[C@]1(C#C[Si](C)(C)C)OC
InChIInChI=1S/C11H20O2Si/c1-6-13-10-9-11(10,12-2)7-8-14(3,4)5/h10H,6,9H2,1-5H3/t10-,11-/m0/s1
InChIKeyDFTPFAHZDJULNW-QWRGUYRKSA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
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

trans-(1S,2R)-2-ethoxy-1-ethynyl-1-methoxycyclopropane
CID 45079325
2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
CID 11005633
(3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane
CID 174329394
methyl 2-ethoxy-1-methylcyclopropane-1-carboxylate
CID 13207562
3-ethoxy-2,2-diethylcyclobutan-1-ol
CID 64569995
3-ethoxy-2-ethyl-2-methylcyclobutan-1-one
CID 65170456
2-chloro-3-ethoxy-2-methylcyclobutan-1-one
CID 130038321
cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol
CID 95240890
[(1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutyl]methanol
CID 97358944
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanol
CID 75524980
(1R,4R)-1-ethoxy-5-oxaspiro[3.4]octan-3-one
CID 97184545

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane (CID 45094288) is 2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane is CCO[C@H]1C[C@]1(C#C[Si](C)(C)C)OC.
What is the InChIKey of 2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane?
The InChIKey is DFTPFAHZDJULNW-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-6-13-10-9-11(10,12-2)7-8-14(3,4)5/h10H,6,9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane?
2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane has a molecular weight of 212.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane is sourced from PubChem (CID 45094288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).