(7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one

C23H38O3Si — CID 71681283

IUPAC(7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one
SMILESC=CC(=O)CCC[C@H](CCCOCc1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C23H38O3Si/c1-5-22(24)16-12-17-23(26-27(6-2,7-3)8-4)18-13-19-25-20-21-14-10-9-11-15-21/h5,9-11,14-15,23H,1,6-8,12-13,16-20H2,2-4H3/t23-/m1/s1
InChIKeyKJIRXGJKXRKSTR-HSZRJFAPSA-N
MW390.64 g/mol
LogP6.30
Rot. Bonds16

About (7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one

(7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one (PubChem CID 71681283) has the molecular formula C23H38O3Si and a molecular weight of 390.64 g/mol. Its IUPAC name is (7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one.

Molecular Properties

Compound Name(7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one
PubChem CID71681283
Molecular FormulaC23H38O3Si
Molecular Weight390.64 g/mol
Exact Mass390.26
IUPAC Name(7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one
SMILESC=CC(=O)CCC[C@H](CCCOCc1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C23H38O3Si/c1-5-22(24)16-12-17-23(26-27(6-2,7-3)8-4)18-13-19-25-20-21-14-10-9-11-15-21/h5,9-11,14-15,23H,1,6-8,12-13,16-20H2,2-4H3/t23-/m1/s1
InChIKeyKJIRXGJKXRKSTR-HSZRJFAPSA-N
XLogP6.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 56.30
H-Bond Donors ≤ 50
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-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

(7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one
CID 46186042
2-oxo-5-phenylmethoxypentanal
CID 166844444
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
(2S)-3,3-dimethyl-2-(3-phenylmethoxypropyl)pent-4-enoic acid
CID 101237570
4-hydroxy-3-methyl-7-phenylmethoxyheptan-2-one
CID 18338993
4-methyl-6-phenylmethoxyhex-1-en-3-one
CID 175450256
(2S,10S)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one
CID 11633468
methyl (E,4S,5R)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-enoate
CID 71733589
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
(2S)-1-phenylmethoxy-2,9-bis(triethylsilyloxy)-12-trimethylsilyldodeca-4,11-diyn-6-one
CID 11520084
(2R,3R)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentan-1-ol
CID 71734812
methyl 4-(3-phenylmethoxypropoxy)hept-6-enoate
CID 19874730

Frequently Asked Questions

What is the IUPAC name of (7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one?
The IUPAC name of (7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one (CID 71681283) is (7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one.
What is the SMILES notation for (7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one?
The canonical SMILES for (7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one is C=CC(=O)CCC[C@H](CCCOCc1ccccc1)O[Si](CC)(CC)CC.
What is the InChIKey of (7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one?
The InChIKey is KJIRXGJKXRKSTR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H38O3Si/c1-5-22(24)16-12-17-23(26-27(6-2,7-3)8-4)18-13-19-25-20-21-14-10-9-11-15-21/h5,9-11,14-15,23H,1,6-8,12-13,16-20H2,2-4H3/t23-/m1/s1.
What are the key properties of (7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one?
(7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one has a molecular weight of 390.64 g/mol, XLogP of 6.30, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one is sourced from PubChem (CID 71681283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).