(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol

C18H40O2Si2 — CID 15498298

IUPAC(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
SMILESCC(C)(C)C(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C18H40O2Si2/c1-17(2,3)16(19)12-15(14-21(7,8)9)13-20-22(10,11)18(4,5)6/h13,16,19H,12,14H2,1-11H3/b15-13-
InChIKeyYLEFPNKSAHVZFJ-SQFISAMPSA-N
MW344.69 g/mol
LogP6.03
Rot. Bonds6

About (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol

(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol (PubChem CID 15498298) has the molecular formula C18H40O2Si2 and a molecular weight of 344.69 g/mol. Its IUPAC name is (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol.

Molecular Properties

Compound Name(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
PubChem CID15498298
Molecular FormulaC18H40O2Si2
Molecular Weight344.69 g/mol
Exact Mass344.26
IUPAC Name(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
SMILESCC(C)(C)C(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C18H40O2Si2/c1-17(2,3)16(19)12-15(14-21(7,8)9)13-20-22(10,11)18(4,5)6/h13,16,19H,12,14H2,1-11H3/b15-13-
InChIKeyYLEFPNKSAHVZFJ-SQFISAMPSA-N
XLogP6.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.69
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
CID 10987643
lithium (Z)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxyethenolate
CID 101062901
tert-butyl-dimethyl-[(Z)-2-trimethylsilyloxyprop-1-enoxy]silane
CID 90756977
(E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one
CID 121003101
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
N-[1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilyl-5-(trimethylsilylmethyl)hex-4-en-2-yl]formamide
CID 10764358
1-aminooxy-3,3-dimethylbutan-2-ol
CID 21111532
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile
CID 101034537
1-(2-hydroxy-3,3-dimethylbutyl)peroxy-3,3-dimethylbutan-2-ol
CID 57136034
(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
CID 20848710

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The IUPAC name of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol (CID 15498298) is (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol.
What is the SMILES notation for (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The canonical SMILES for (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol is CC(C)(C)C(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The InChIKey is YLEFPNKSAHVZFJ-SQFISAMPSA-N. The full InChI is InChI=1S/C18H40O2Si2/c1-17(2,3)16(19)12-15(14-21(7,8)9)13-20-22(10,11)18(4,5)6/h13,16,19H,12,14H2,1-11H3/b15-13-.
What are the key properties of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol?
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol has a molecular weight of 344.69 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol is sourced from PubChem (CID 15498298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).