tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane

C19H44O2Si3 — CID 10927227

IUPACtert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCC/C=C(\C[Si](C)(C)O)[Si](C)(C)C
InChIInChI=1S/C19H44O2Si3/c1-19(2,3)24(9,10)21-16-14-12-11-13-15-18(22(4,5)6)17-23(7,8)20/h15,20H,11-14,16-17H2,1-10H3/b18-15+
InChIKeyDPCBXZKNAMILQS-OBGWFSINSA-N
MW388.82 g/mol
LogP6.57
Rot. Bonds10

About tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane

tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane (PubChem CID 10927227) has the molecular formula C19H44O2Si3 and a molecular weight of 388.82 g/mol. Its IUPAC name is tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane
PubChem CID10927227
Molecular FormulaC19H44O2Si3
Molecular Weight388.82 g/mol
Exact Mass388.26
IUPAC Nametert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCC/C=C(\C[Si](C)(C)O)[Si](C)(C)C
InChIInChI=1S/C19H44O2Si3/c1-19(2,3)24(9,10)21-16-14-12-11-13-15-18(22(4,5)6)17-23(7,8)20/h15,20H,11-14,16-17H2,1-10H3/b18-15+
InChIKeyDPCBXZKNAMILQS-OBGWFSINSA-N
XLogP6.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.82
LogP ≤ 56.57
H-Bond Donors ≤ 51
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

cis-9-octadecenol, tBDMS
CID 6430273
Silane, dimethyl(dec-4-enyloxy)pentyloxy-
CID 91694497
Silane, dimethyl(dec-4-enyloxy)heptyloxy-
CID 91694498
Silane, dimethyl(dec-4-enyloxy)hexyloxy-
CID 91694588
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)hexyloxy-
CID 91697249
(Z,E)-Tetradeca-9,12-dienol, tert-Butyldimethylsilyl ether
CID 91697354
Silane, dimethyl(dimethyl(dec-4-enyloxy)silyloxy)(dec-4-enyloxy)-
CID 91715845
Silane, dimethyl(non-3-enyloxy)hexyloxy-
CID 91730345
(Z)-4-Decen-1-ol, tert-butyldimethylsilyl ether
CID 91734630
13c,16c-docosadienol, tBDMS
CID 6430207
tert-butyl-dimethyl-[(E)-6-trimethylsilylundec-4-enoxy]silane
CID 11382734
trimethyl-[(E)-9-tri(propan-2-yl)silyloxynon-2-en-4-yl]silane
CID 102450629

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane (CID 10927227) is tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCC/C=C(\C[Si](C)(C)O)[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane?
The InChIKey is DPCBXZKNAMILQS-OBGWFSINSA-N. The full InChI is InChI=1S/C19H44O2Si3/c1-19(2,3)24(9,10)21-16-14-12-11-13-15-18(22(4,5)6)17-23(7,8)20/h15,20H,11-14,16-17H2,1-10H3/b18-15+.
What are the key properties of tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane?
tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane has a molecular weight of 388.82 g/mol, XLogP of 6.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-8-[hydroxy(dimethyl)silyl]-7-trimethylsilyloct-6-enoxy]-dimethylsilane is sourced from PubChem (CID 10927227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).