(2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one

C33H48O3Si — CID 71816568

IUPAC(2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one
SMILESCCCCCCCCCCCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1C=CC(=O)O1
InChIInChI=1S/C33H48O3Si/c1-5-6-7-8-9-10-11-12-13-20-25-31(30-26-27-32(34)35-30)36-37(33(2,3)4,28-21-16-14-17-22-28)29-23-18-15-19-24-29/h14-19,21-24,26-27,30-31H,5-13,20,25H2,1-4H3/t30-,31-/m0/s1
InChIKeyKWXJYMWRPADULV-CONSDPRKSA-N
MW520.83 g/mol
LogP7.72
Rot. Bonds16

About (2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one

(2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one (PubChem CID 71816568) has the molecular formula C33H48O3Si and a molecular weight of 520.83 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one
PubChem CID71816568
Molecular FormulaC33H48O3Si
Molecular Weight520.83 g/mol
Exact Mass520.34
IUPAC Name(2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one
SMILESCCCCCCCCCCCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1C=CC(=O)O1
InChIInChI=1S/C33H48O3Si/c1-5-6-7-8-9-10-11-12-13-20-25-31(30-26-27-32(34)35-30)36-37(33(2,3)4,28-21-16-14-17-22-28)29-23-18-15-19-24-29/h14-19,21-24,26-27,30-31H,5-13,20,25H2,1-4H3/t30-,31-/m0/s1
InChIKeyKWXJYMWRPADULV-CONSDPRKSA-N
XLogP7.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.83
LogP ≤ 57.72
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'}

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Related Compounds

2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-, (S)-
CID 10991787
methyl (2E,5S,6R,7E)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-2,7-dienoate
CID 10765397
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10883073
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one
CID 10991789
ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
CID 11417698
ethyl (E,4S,5S)-6-phenyl-4,5-bis(tributylsilyloxy)hex-2-enoate
CID 5468982
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one
CID 12097657
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one
CID 13009255
Ethyl (2z)-((3r,5s)-3-{[tert-butyl(diphenyl)silyl]oxy}-5-fluoro-4-methylenecyclohexylidene)acetate
CID 57696867
ethyl (E,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluorohex-2-enoate
CID 68391111
ethyl 2-[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-4-methylidenecyclohexylidene]acetate
CID 91354669
ethyl (2Z)-2-[(3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-4-methylidenecyclohexylidene]acetate
CID 146029346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one (CID 71816568) is (2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one is CCCCCCCCCCCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1C=CC(=O)O1.
What is the InChIKey of (2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one?
The InChIKey is KWXJYMWRPADULV-CONSDPRKSA-N. The full InChI is InChI=1S/C33H48O3Si/c1-5-6-7-8-9-10-11-12-13-20-25-31(30-26-27-32(34)35-30)36-37(33(2,3)4,28-21-16-14-17-22-28)29-23-18-15-19-24-29/h14-19,21-24,26-27,30-31H,5-13,20,25H2,1-4H3/t30-,31-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one?
(2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one has a molecular weight of 520.83 g/mol, XLogP of 7.72, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]-2H-furan-5-one is sourced from PubChem (CID 71816568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).