(4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol

C26H33Cl3O2Si — CID 132507154

IUPAC(4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol
SMILESCC(C)(C)[Si](OCCCCC#C[C@@H](O)C(Cl)(Cl)CCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33Cl3O2Si/c1-25(2,3)32(22-14-8-6-9-15-22,23-16-10-7-11-17-23)31-21-13-5-4-12-18-24(30)26(28,29)19-20-27/h6-11,14-17,24,30H,4-5,13,19-21H2,1-3H3/t24-/m1/s1
InChIKeyHNBMUTQGDGMORB-XMMPIXPASA-N
MW511.99 g/mol
LogP5.90
Rot. Bonds10

About (4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol

(4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol (PubChem CID 132507154) has the molecular formula C26H33Cl3O2Si and a molecular weight of 511.99 g/mol. Its IUPAC name is (4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol.

Molecular Properties

Compound Name(4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol
PubChem CID132507154
Molecular FormulaC26H33Cl3O2Si
Molecular Weight511.99 g/mol
Exact Mass510.13
IUPAC Name(4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol
SMILESCC(C)(C)[Si](OCCCCC#C[C@@H](O)C(Cl)(Cl)CCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33Cl3O2Si/c1-25(2,3)32(22-14-8-6-9-15-22,23-16-10-7-11-17-23)31-21-13-5-4-12-18-24(30)26(28,29)19-20-27/h6-11,14-17,24,30H,4-5,13,19-21H2,1-3H3/t24-/m1/s1
InChIKeyHNBMUTQGDGMORB-XMMPIXPASA-N
XLogP5.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.99
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol
CID 11991856
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol
CID 11155554
11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt
CID 10985443
(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol
CID 24795141
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol
CID 135030913
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane
CID 10412453
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522

Frequently Asked Questions

What is the IUPAC name of (4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol?
The IUPAC name of (4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol (CID 132507154) is (4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol.
What is the SMILES notation for (4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol?
The canonical SMILES for (4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol is CC(C)(C)[Si](OCCCCC#C[C@@H](O)C(Cl)(Cl)CCCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol?
The InChIKey is HNBMUTQGDGMORB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H33Cl3O2Si/c1-25(2,3)32(22-14-8-6-9-15-22,23-16-10-7-11-17-23)31-21-13-5-4-12-18-24(30)26(28,29)19-20-27/h6-11,14-17,24,30H,4-5,13,19-21H2,1-3H3/t24-/m1/s1.
What are the key properties of (4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol?
(4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol has a molecular weight of 511.99 g/mol, XLogP of 5.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol is sourced from PubChem (CID 132507154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).