(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol

C19H40O3Si2 — CID 10595476

IUPAC(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-12-16(21-23(8,9)18(2,3)4)17(14-13-15-20)22-24(10,11)19(5,6)7/h1,16-17,20H,13-15H2,2-11H3/t16-,17+/m1/s1
InChIKeyOIDRYVKIJBRQHO-SJORKVTESA-N
MW372.70 g/mol
LogP5.17
Rot. Bonds8

About (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol

(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol (PubChem CID 10595476) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol.

Molecular Properties

Compound Name(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol
PubChem CID10595476
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-12-16(21-23(8,9)18(2,3)4)17(14-13-15-20)22-24(10,11)19(5,6)7/h1,16-17,20H,13-15H2,2-11H3/t16-,17+/m1/s1
InChIKeyOIDRYVKIJBRQHO-SJORKVTESA-N
XLogP5.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloct-7-ynoic acid
CID 135039835
trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
CID 10530881
tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
CID 162715349
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-yn-1-ol
CID 91868233
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-yn-1-ol
CID 121013901
tert-butyl-[(3S)-6-chlorohex-1-yn-3-yl]oxy-dimethylsilane
CID 71503804
(5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
CID 101258816
(5R,8S)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
CID 101258818
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid
CID 15469389
tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane
CID 25098862

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol?
The IUPAC name of (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol (CID 10595476) is (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol.
What is the SMILES notation for (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol?
The canonical SMILES for (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol is C#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol?
The InChIKey is OIDRYVKIJBRQHO-SJORKVTESA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-12-16(21-23(8,9)18(2,3)4)17(14-13-15-20)22-24(10,11)19(5,6)7/h1,16-17,20H,13-15H2,2-11H3/t16-,17+/m1/s1.
What are the key properties of (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol?
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol has a molecular weight of 372.70 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol is sourced from PubChem (CID 10595476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).