2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane

C18H32O2Si — CID 15527062

IUPAC2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane
SMILESCCOCO[C@@H]1CCC[C@@H]2CCC[C@H](C#C[Si](C)(C)C)[C@H]21
InChIInChI=1S/C18H32O2Si/c1-5-19-14-20-17-11-7-10-15-8-6-9-16(18(15)17)12-13-21(2,3)4/h15-18H,5-11,14H2,1-4H3/t15-,16+,17+,18-/m0/s1
InChIKeyTZSVTMUVCVCDAN-MLHJIOFPSA-N
MW308.54 g/mol
LogP4.46
Rot. Bonds4

About 2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane

2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane (PubChem CID 15527062) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane
PubChem CID15527062
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane
SMILESCCOCO[C@@H]1CCC[C@@H]2CCC[C@H](C#C[Si](C)(C)C)[C@H]21
InChIInChI=1S/C18H32O2Si/c1-5-19-14-20-17-11-7-10-15-8-6-9-16(18(15)17)12-13-21(2,3)4/h15-18H,5-11,14H2,1-4H3/t15-,16+,17+,18-/m0/s1
InChIKeyTZSVTMUVCVCDAN-MLHJIOFPSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane (CID 15527062) is 2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane is CCOCO[C@@H]1CCC[C@@H]2CCC[C@H](C#C[Si](C)(C)C)[C@H]21.
What is the InChIKey of 2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane?
The InChIKey is TZSVTMUVCVCDAN-MLHJIOFPSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-5-19-14-20-17-11-7-10-15-8-6-9-16(18(15)17)12-13-21(2,3)4/h15-18H,5-11,14H2,1-4H3/t15-,16+,17+,18-/m0/s1.
What are the key properties of 2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane?
2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane has a molecular weight of 308.54 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4aS,8R,8aS)-8-(ethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 15527062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).