(4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol

C16H32O2Si — CID 134832360

IUPAC(4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol
SMILESC=C[C@@H](C)C[C@@H](O)C(=C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-9-13(2)12-15(17)14(3)10-11-18-19(7,8)16(4,5)6/h9,13,15,17H,1,3,10-12H2,2,4-8H3/t13-,15-/m1/s1
InChIKeyQKXRLXKPBSRTLE-UKRRQHHQSA-N
MW284.52 g/mol
LogP4.53
Rot. Bonds8

About (4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol

(4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol (PubChem CID 134832360) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol.

Molecular Properties

Compound Name(4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol
PubChem CID134832360
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol
SMILESC=C[C@@H](C)C[C@@H](O)C(=C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-9-13(2)12-15(17)14(3)10-11-18-19(7,8)16(4,5)6/h9,13,15,17H,1,3,10-12H2,2,4-8H3/t13-,15-/m1/s1
InChIKeyQKXRLXKPBSRTLE-UKRRQHHQSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.53
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

(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
CID 11102001
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
(1S,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylidene-1-phenylhexan-1-ol
CID 134930493
(E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol
CID 23253498
[(3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 16726241
(E,2S,3R)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhept-4-en-3-ol
CID 101339681
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 11499712

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol?
The IUPAC name of (4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol (CID 134832360) is (4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol.
What is the SMILES notation for (4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol?
The canonical SMILES for (4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol is C=C[C@@H](C)C[C@@H](O)C(=C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol?
The InChIKey is QKXRLXKPBSRTLE-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-9-13(2)12-15(17)14(3)10-11-18-19(7,8)16(4,5)6/h9,13,15,17H,1,3,10-12H2,2,4-8H3/t13-,15-/m1/s1.
What are the key properties of (4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol?
(4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol has a molecular weight of 284.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol is sourced from PubChem (CID 134832360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).