1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol

C12H26O2Si — CID 10988080

IUPAC1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
SMILESC=CCC(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3
InChIKeyYPXHYWAGAHVDOR-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.34
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol

1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol (PubChem CID 10988080) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
PubChem CID10988080
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
SMILESC=CCC(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3
InChIKeyYPXHYWAGAHVDOR-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.34
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

3-[Tert-butyl(dimethyl)silyl]oxypent-4-en-1-ol
CID 17795838
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
6-Tri(propan-2-yl)silyloxyhex-1-en-3-ol
CID 85705217
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-en-2-ol
CID 138985053
(3S)-3-[tert-butyl(dimethyl)silyl]oxynona-1,8-dien-5-ol
CID 168266624
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol (CID 10988080) is 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol is C=CCC(O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol?
The InChIKey is YPXHYWAGAHVDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol?
1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol has a molecular weight of 230.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol is sourced from PubChem (CID 10988080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).