(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol

C25H34O4Si — CID 24795141

IUPAC(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol
SMILESCOC(C[C@@H](O)C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC
InChIInChI=1S/C25H34O4Si/c1-25(2,3)30(22-15-8-6-9-16-22,23-17-10-7-11-18-23)29-19-13-12-14-21(26)20-24(27-4)28-5/h6-11,15-18,21,24,26H,13,19-20H2,1-5H3/t21-/m0/s1
InChIKeyUZMRKQMQFHJHDT-NRFANRHFSA-N
MW426.63 g/mol
LogP3.33
Rot. Bonds9

About (3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol

(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol (PubChem CID 24795141) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is (3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol.

Molecular Properties

Compound Name(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol
PubChem CID24795141
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Name(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol
SMILESCOC(C[C@@H](O)C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC
InChIInChI=1S/C25H34O4Si/c1-25(2,3)30(22-15-8-6-9-16-22,23-17-10-7-11-18-23)29-19-13-12-14-21(26)20-24(27-4)28-5/h6-11,15-18,21,24,26H,13,19-20H2,1-5H3/t21-/m0/s1
InChIKeyUZMRKQMQFHJHDT-NRFANRHFSA-N
XLogP3.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-one
CID 24795140
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
CID 10926656
9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol
CID 11991856
(4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol
CID 132507154
tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
CID 11082053
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
6-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluorohex-3-yn-2-one
CID 10644927
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
CID 160529353
tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
CID 73192940

Frequently Asked Questions

What is the IUPAC name of (3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol?
The IUPAC name of (3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol (CID 24795141) is (3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol.
What is the SMILES notation for (3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol?
The canonical SMILES for (3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol is COC(C[C@@H](O)C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC.
What is the InChIKey of (3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol?
The InChIKey is UZMRKQMQFHJHDT-NRFANRHFSA-N. The full InChI is InChI=1S/C25H34O4Si/c1-25(2,3)30(22-15-8-6-9-16-22,23-17-10-7-11-18-23)29-19-13-12-14-21(26)20-24(27-4)28-5/h6-11,15-18,21,24,26H,13,19-20H2,1-5H3/t21-/m0/s1.
What are the key properties of (3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol?
(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol has a molecular weight of 426.63 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol is sourced from PubChem (CID 24795141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).