(2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one

C20H34O2Si — CID 101192098

IUPAC(2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one
SMILESCCCCCCC[C@@H](OC)[C@@H](C(=O)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H34O2Si/c1-6-7-8-9-13-16-18(22-2)19(20(21)23(3,4)5)17-14-11-10-12-15-17/h10-12,14-15,18-19H,6-9,13,16H2,1-5H3/t18-,19+/m1/s1
InChIKeyDCMQOJMKXUBNAI-MOPGFXCFSA-N
MW334.58 g/mol
LogP5.59
Rot. Bonds11

About (2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one

(2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one (PubChem CID 101192098) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one
PubChem CID101192098
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name(2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one
SMILESCCCCCCC[C@@H](OC)[C@@H](C(=O)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H34O2Si/c1-6-7-8-9-13-16-18(22-2)19(20(21)23(3,4)5)17-14-11-10-12-15-17/h10-12,14-15,18-19H,6-9,13,16H2,1-5H3/t18-,19+/m1/s1
InChIKeyDCMQOJMKXUBNAI-MOPGFXCFSA-N
XLogP5.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 55.59
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'}

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Related Compounds

3-hydroxy-2-phenyloctanamide
CID 70389819
bis(1-phenyloctyl) carbonate
CID 67179048
methyl 2-phenylheptanoate
CID 143443478
2-phenylhexadecanoyl 2-phenylhexadecanoate
CID 89240017
methyl 3-phenylundecanoate
CID 608715
2-decyldodecyl 2-methoxy-2-phenylacetate
CID 129279281
(1R)-1-phenyloctan-1-ol
CID 12794259
iodo 3-methyl-2-phenyloctanoate
CID 143248949
methyl 2-methylidene-3-phenyldecanoate
CID 54497429
2-phenyloctadecanoyl chloride
CID 154195260
1-phenylnonyl formate
CID 174585088
1-phenylheptyl formate
CID 174746901

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one?
The IUPAC name of (2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one (CID 101192098) is (2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one.
What is the SMILES notation for (2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one?
The canonical SMILES for (2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one is CCCCCCC[C@@H](OC)[C@@H](C(=O)[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one?
The InChIKey is DCMQOJMKXUBNAI-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-6-7-8-9-13-16-18(22-2)19(20(21)23(3,4)5)17-14-11-10-12-15-17/h10-12,14-15,18-19H,6-9,13,16H2,1-5H3/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one?
(2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one has a molecular weight of 334.58 g/mol, XLogP of 5.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one is sourced from PubChem (CID 101192098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).