(2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one

C22H42O2Si — CID 11337567

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCC[C@H]1OC(=O)C=C[C@@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-19-20(17-18-21(23)24-19)25(5,6)22(2,3)4/h17-20H,7-16H2,1-6H3/t19-,20+/m1/s1
InChIKeyQFFSGMFMRCTNOH-UXHICEINSA-N
MW366.66 g/mol
LogP7.27
Rot. Bonds11

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one

(2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one (PubChem CID 11337567) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one
PubChem CID11337567
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCC[C@H]1OC(=O)C=C[C@@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-19-20(17-18-21(23)24-19)25(5,6)22(2,3)4/h17-20H,7-16H2,1-6H3/t19-,20+/m1/s1
InChIKeyQFFSGMFMRCTNOH-UXHICEINSA-N
XLogP7.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 57.27
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

2-(2-methylnonan-2-yl)-2H-furan-5-one
CID 129257118
3-hexyl-2,3-dihydropyran-6-one
CID 134890393
(2S)-2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one
CID 10799274
(2R,3S)-2-heptyl-3-hydroxy-4-methyl-2,3-dihydropyran-6-one
CID 163115213
(2S)-2-[(1R)-1-hydroxyoctyl]-2H-furan-5-one
CID 101421510
3-hydroxy-2-(2,4,6,8-tetrahydroxytricosyl)-2,3-dihydropyran-6-one
CID 75995977
2-nonyl-2,3-dihydropyran-6-one
CID 15825660
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
(3S,4S)-4-nonyl-3-octyloxetan-2-one
CID 146344694
(2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one
CID 12733520
(4S,5R)-5-heptyl-4-hydroxyoxolan-2-one
CID 102399491
(2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane
CID 102130501

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one (CID 11337567) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one is CCCCCCCCCCC[C@H]1OC(=O)C=C[C@@H]1[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one?
The InChIKey is QFFSGMFMRCTNOH-UXHICEINSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-7-8-9-10-11-12-13-14-15-16-19-20(17-18-21(23)24-19)25(5,6)22(2,3)4/h17-20H,7-16H2,1-6H3/t19-,20+/m1/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one has a molecular weight of 366.66 g/mol, XLogP of 7.27, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]-2-undecyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 11337567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).