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

C17H32O4Si — CID 10245976

IUPAC(4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)C=CC(=O)[C@H]1C
InChIInChI=1S/C17H32O4Si/c1-7-22(8-2,9-3)21-17-13(4)15(18)10-11-16(14(17)5)20-12-19-6/h10-11,13-14,16-17H,7-9,12H2,1-6H3/t13-,14+,16-,17-/m1/s1
InChIKeyMEVOFOFDQKXUIJ-YALNPMBYSA-N
MW328.53 g/mol
LogP3.78
Rot. Bonds8

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

(4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one (PubChem CID 10245976) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one.

Molecular Properties

Compound Name(4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one
PubChem CID10245976
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)C=CC(=O)[C@H]1C
InChIInChI=1S/C17H32O4Si/c1-7-22(8-2,9-3)21-17-13(4)15(18)10-11-16(14(17)5)20-12-19-6/h10-11,13-14,16-17H,7-9,12H2,1-6H3/t13-,14+,16-,17-/m1/s1
InChIKeyMEVOFOFDQKXUIJ-YALNPMBYSA-N
XLogP3.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
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'}

Analyze (4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4S,6R)-6-[(E,3S,4S)-3,5-dimethyl-4-trimethylsilyloxyhex-1-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one
CID 134939871
(E,3S,5R)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal
CID 163238490
(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal
CID 163238504
(4R,5S,6S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one
CID 10408600
1-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-4,4-dimethylcyclopenten-1-yl]propan-1-one
CID 11348457

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one?
The IUPAC name of (4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one (CID 10245976) is (4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one.
What is the SMILES notation for (4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one?
The canonical SMILES for (4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one is CC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)C=CC(=O)[C@H]1C.
What is the InChIKey of (4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one?
The InChIKey is MEVOFOFDQKXUIJ-YALNPMBYSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-7-22(8-2,9-3)21-17-13(4)15(18)10-11-16(14(17)5)20-12-19-6/h10-11,13-14,16-17H,7-9,12H2,1-6H3/t13-,14+,16-,17-/m1/s1.
What are the key properties of (4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one?
(4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one has a molecular weight of 328.53 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S,7S)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one is sourced from PubChem (CID 10245976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).