[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C19H40O4Si — CID 135021412

IUPAC[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESC[C@@H](CCCCC[C@H]1OC(C)(C)O[C@H]1CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si/c1-15(23-24(7,8)18(2,3)4)12-10-9-11-13-16-17(14-20)22-19(5,6)21-16/h15-17,20H,9-14H2,1-8H3/t15-,16+,17-/m0/s1
InChIKeyFGEFCKGRXNZLSZ-BBWFWOEESA-N
MW360.61 g/mol
LogP4.86
Rot. Bonds9

About [(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 135021412) has the molecular formula C19H40O4Si and a molecular weight of 360.61 g/mol. Its IUPAC name is [(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID135021412
Molecular FormulaC19H40O4Si
Molecular Weight360.61 g/mol
Exact Mass360.27
IUPAC Name[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESC[C@@H](CCCCC[C@H]1OC(C)(C)O[C@H]1CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si/c1-15(23-24(7,8)18(2,3)4)12-10-9-11-13-16-17(14-20)22-19(5,6)21-16/h15-17,20H,9-14H2,1-8H3/t15-,16+,17-/m0/s1
InChIKeyFGEFCKGRXNZLSZ-BBWFWOEESA-N
XLogP4.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxybutan-2-ol
CID 11362793
2-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-1-ol
CID 58426123
2-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol
CID 58426131
1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol
CID 58426136
[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 10093261
[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 10093262
[(2S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 11292911
(2R)-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]propane-1,2-diol
CID 11450963
(2R,3S,4S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2,3,4-triol
CID 11618400
(4S,5R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 25022950
3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 44515758
(1R)-1-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 44515761

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 135021412) is [(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is C[C@@H](CCCCC[C@H]1OC(C)(C)O[C@H]1CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is FGEFCKGRXNZLSZ-BBWFWOEESA-N. The full InChI is InChI=1S/C19H40O4Si/c1-15(23-24(7,8)18(2,3)4)12-10-9-11-13-16-17(14-20)22-19(5,6)21-16/h15-17,20H,9-14H2,1-8H3/t15-,16+,17-/m0/s1.
What are the key properties of [(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 360.61 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 135021412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).