6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol

C16H34O2Si — CID 91552534

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
SMILESCC=CC(O)C(C)(C)C(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-10-12-13(17)16(6,7)14(11-2)18-19(8,9)15(3,4)5/h10,12-14,17H,11H2,1-9H3
InChIKeyVKVXZRSCKCBRJL-UHFFFAOYSA-N
MW286.53 g/mol
LogP4.75
Rot. Bonds6

About 6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol

6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol (PubChem CID 91552534) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
PubChem CID91552534
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
SMILESCC=CC(O)C(C)(C)C(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-10-12-13(17)16(6,7)14(11-2)18-19(8,9)15(3,4)5/h10,12-14,17H,11H2,1-9H3
InChIKeyVKVXZRSCKCBRJL-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
(E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol
CID 11199521
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877
1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine
CID 175848206
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 14894503
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxoundec-9-enoic acid
CID 173125300
(2S,3S,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-6-ene-1,5-diol
CID 91516629
(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal
CID 156686212
N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide
CID 73178317
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol (CID 91552534) is 6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol is CC=CC(O)C(C)(C)C(CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol?
The InChIKey is VKVXZRSCKCBRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-10-12-13(17)16(6,7)14(11-2)18-19(8,9)15(3,4)5/h10,12-14,17H,11H2,1-9H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol?
6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol has a molecular weight of 286.53 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol is sourced from PubChem (CID 91552534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).