(Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol

C19H39BO4Si — CID 138977970

IUPAC(Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol
SMILESC/C(=C\C[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H39BO4Si/c1-14(20-23-18(6,7)19(8,9)24-20)12-13-16(21)15(2)22-25(10,11)17(3,4)5/h12,15-16,21H,13H2,1-11H3/b14-12+/t15-,16+/m1/s1
InChIKeyQQHOSQUBZZJLFW-VSFMZDRDSA-N
MW370.42 g/mol
LogP4.73
Rot. Bonds6

About (Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol

(Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol (PubChem CID 138977970) has the molecular formula C19H39BO4Si and a molecular weight of 370.42 g/mol. Its IUPAC name is (Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol.

Molecular Properties

Compound Name(Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol
PubChem CID138977970
Molecular FormulaC19H39BO4Si
Molecular Weight370.42 g/mol
Exact Mass370.27
IUPAC Name(Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol
SMILESC/C(=C\C[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H39BO4Si/c1-14(20-23-18(6,7)19(8,9)24-20)12-13-16(21)15(2)22-25(10,11)17(3,4)5/h12,15-16,21H,13H2,1-11H3/b14-12+/t15-,16+/m1/s1
InChIKeyQQHOSQUBZZJLFW-VSFMZDRDSA-N
XLogP4.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol with MolForge

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Related Compounds

tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane
CID 122404223
(E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol
CID 140658624
(5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol
CID 140765683
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol
CID 122371218
tert-butyl-[(E,2S,3R)-2,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-4-enoxy]-dimethylsilane
CID 154719608
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(2R,3S,5E,7E,9R,10S,11E,13S)-2,13-bis[[tert-butyl(dimethyl)silyl]oxy]-10-ethyl-6,8,12-trimethyl-9-triethylsilyloxyhexadeca-5,7,11,15-tetraen-3-ol
CID 138977537
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol
CID 11732481
(7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,6-tetramethyldec-9-en-5-one
CID 87331816
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816

Frequently Asked Questions

What is the IUPAC name of (Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol?
The IUPAC name of (Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol (CID 138977970) is (Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol.
What is the SMILES notation for (Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol?
The canonical SMILES for (Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol is C/C(=C\C[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol?
The InChIKey is QQHOSQUBZZJLFW-VSFMZDRDSA-N. The full InChI is InChI=1S/C19H39BO4Si/c1-14(20-23-18(6,7)19(8,9)24-20)12-13-16(21)15(2)22-25(10,11)17(3,4)5/h12,15-16,21H,13H2,1-11H3/b14-12+/t15-,16+/m1/s1.
What are the key properties of (Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol?
(Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol has a molecular weight of 370.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol is sourced from PubChem (CID 138977970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).