2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol

C19H38O3Si — CID 20593572

IUPAC2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCCC2C1CCC[C@@H]2OCOCC[Si](C)(C)C
InChIInChI=1S/C19H38O3Si/c1-19(2,20)17-10-6-9-16-15(17)8-7-11-18(16)22-14-21-12-13-23(3,4)5/h15-18,20H,6-14H2,1-5H3/t15?,16?,17-,18-/m0/s1
InChIKeyIKNZODBQKKJAOF-FOIPXRHGSA-N
MW342.60 g/mol
LogP4.67
Rot. Bonds7

About 2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol

2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol (PubChem CID 20593572) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is 2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
PubChem CID20593572
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCCC2C1CCC[C@@H]2OCOCC[Si](C)(C)C
InChIInChI=1S/C19H38O3Si/c1-19(2,20)17-10-6-9-16-15(17)8-7-11-18(16)22-14-21-12-13-23(3,4)5/h15-18,20H,6-14H2,1-5H3/t15?,16?,17-,18-/m0/s1
InChIKeyIKNZODBQKKJAOF-FOIPXRHGSA-N
XLogP4.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol?
The IUPAC name of 2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol (CID 20593572) is 2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol.
What is the SMILES notation for 2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol?
The canonical SMILES for 2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol is CC(C)(O)[C@H]1CCCC2C1CCC[C@@H]2OCOCC[Si](C)(C)C.
What is the InChIKey of 2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol?
The InChIKey is IKNZODBQKKJAOF-FOIPXRHGSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-19(2,20)17-10-6-9-16-15(17)8-7-11-18(16)22-14-21-12-13-23(3,4)5/h15-18,20H,6-14H2,1-5H3/t15?,16?,17-,18-/m0/s1.
What are the key properties of 2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol?
2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol has a molecular weight of 342.60 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5S)-5-(2-trimethylsilylethoxymethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol is sourced from PubChem (CID 20593572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).