2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane

C18H32O2Si — CID 101198086

IUPAC2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane
SMILESCCO[C@@H]1CC=C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C18H32O2Si/c1-8-19-18-11-9-10-17(20-18)12-13-21(14(2)3,15(4)5)16(6)7/h9-10,14-18H,8,11H2,1-7H3/t17-,18-/m0/s1
InChIKeyPFVUTDSFEHOHBO-ROUUACIJSA-N
MW308.54 g/mol
LogP4.92
Rot. Bonds5

About 2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane

2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 101198086) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID101198086
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane
SMILESCCO[C@@H]1CC=C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C18H32O2Si/c1-8-19-18-11-9-10-17(20-18)12-13-21(14(2)3,15(4)5)16(6)7/h9-10,14-18H,8,11H2,1-7H3/t17-,18-/m0/s1
InChIKeyPFVUTDSFEHOHBO-ROUUACIJSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane (CID 101198086) is 2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane is CCO[C@@H]1CC=C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of 2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is PFVUTDSFEHOHBO-ROUUACIJSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-8-19-18-11-9-10-17(20-18)12-13-21(14(2)3,15(4)5)16(6)7/h9-10,14-18H,8,11H2,1-7H3/t17-,18-/m0/s1.
What are the key properties of 2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane?
2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 308.54 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 101198086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).