(1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol

C17H34O4Si — CID 10359315

IUPAC(1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)C=C[C@@H](O)[C@H]1C
InChIInChI=1S/C17H34O4Si/c1-7-22(8-2,9-3)21-17-13(4)15(18)10-11-16(14(17)5)20-12-19-6/h10-11,13-18H,7-9,12H2,1-6H3/t13-,14+,15-,16-,17-/m1/s1
InChIKeyPHDGTZFHQXLHJG-ZHCJQAHYSA-N
MW330.54 g/mol
LogP3.57
Rot. Bonds8

About (1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol

(1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol (PubChem CID 10359315) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol
PubChem CID10359315
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)C=C[C@@H](O)[C@H]1C
InChIInChI=1S/C17H34O4Si/c1-7-22(8-2,9-3)21-17-13(4)15(18)10-11-16(14(17)5)20-12-19-6/h10-11,13-18H,7-9,12H2,1-6H3/t13-,14+,15-,16-,17-/m1/s1
InChIKeyPHDGTZFHQXLHJG-ZHCJQAHYSA-N
XLogP3.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol?
The IUPAC name of (1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol (CID 10359315) is (1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol.
What is the SMILES notation for (1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol?
The canonical SMILES for (1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol is CC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)C=C[C@@H](O)[C@H]1C.
What is the InChIKey of (1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol?
The InChIKey is PHDGTZFHQXLHJG-ZHCJQAHYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-7-22(8-2,9-3)21-17-13(4)15(18)10-11-16(14(17)5)20-12-19-6/h10-11,13-18H,7-9,12H2,1-6H3/t13-,14+,15-,16-,17-/m1/s1.
What are the key properties of (1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol?
(1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol has a molecular weight of 330.54 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S,6R,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-ol is sourced from PubChem (CID 10359315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).