(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol

C14H30O2Si — CID 122371218

IUPAC(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol
SMILESC/C(=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C14H30O2Si/c1-11(10-15)9-12(2)13(3)16-17(7,8)14(4,5)6/h9,12-13,15H,10H2,1-8H3/b11-9-/t12-,13-/m1/s1
InChIKeyDNLGFQVFAARAMR-BFMCYROOSA-N
MW258.48 g/mol
LogP3.97
Rot. Bonds5

About (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol

(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol (PubChem CID 122371218) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol.

Molecular Properties

Compound Name(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol
PubChem CID122371218
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol
SMILESC/C(=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C14H30O2Si/c1-11(10-15)9-12(2)13(3)16-17(7,8)14(4,5)6/h9,12-13,15H,10H2,1-8H3/b11-9-/t12-,13-/m1/s1
InChIKeyDNLGFQVFAARAMR-BFMCYROOSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.97
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,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol
CID 11500377
(E,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyldec-2-ene-1,5-diol
CID 11728066
ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
CID 134952080
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[dimethyl(phenyl)silyl]-4-methylhex-2-en-1-ol
CID 134950604
(E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol
CID 11732481
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
[(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol
CID 53329191
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
(E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol
CID 57387274
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232

Frequently Asked Questions

What is the IUPAC name of (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol?
The IUPAC name of (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol (CID 122371218) is (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol.
What is the SMILES notation for (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol?
The canonical SMILES for (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol is C/C(=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol?
The InChIKey is DNLGFQVFAARAMR-BFMCYROOSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-11(10-15)9-12(2)13(3)16-17(7,8)14(4,5)6/h9,12-13,15H,10H2,1-8H3/b11-9-/t12-,13-/m1/s1.
What are the key properties of (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol?
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol has a molecular weight of 258.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-en-1-ol is sourced from PubChem (CID 122371218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).