(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol

C19H38O2Si — CID 57407601

IUPAC(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol
SMILESC#CC[C@H](O)C[C@@H](CCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-8-10-11-12-13-15-18(16-17(20)14-9-2)21-22(6,7)19(3,4)5/h2,17-18,20H,8,10-16H2,1,3-7H3/t17-,18+/m0/s1
InChIKeyRVCCULGLXJSKNP-ZWKOTPCHSA-N
MW326.60 g/mol
LogP5.51
Rot. Bonds11

About (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol (PubChem CID 57407601) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol.

Molecular Properties

Compound Name(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol
PubChem CID57407601
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol
SMILESC#CC[C@H](O)C[C@@H](CCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-8-10-11-12-13-15-18(16-17(20)14-9-2)21-22(6,7)19(3,4)5/h2,17-18,20H,8,10-16H2,1,3-7H3/t17-,18+/m0/s1
InChIKeyRVCCULGLXJSKNP-ZWKOTPCHSA-N
XLogP5.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
CID 129405343
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
trimethyl(non-1-yn-4-yloxy)silane
CID 10954874
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane
CID 125497051
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne
CID 164949414
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol?
The IUPAC name of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol (CID 57407601) is (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol.
What is the SMILES notation for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol?
The canonical SMILES for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol is C#CC[C@H](O)C[C@@H](CCCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol?
The InChIKey is RVCCULGLXJSKNP-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-8-10-11-12-13-15-18(16-17(20)14-9-2)21-22(6,7)19(3,4)5/h2,17-18,20H,8,10-16H2,1,3-7H3/t17-,18+/m0/s1.
What are the key properties of (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol?
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol has a molecular weight of 326.60 g/mol, XLogP of 5.51, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol is sourced from PubChem (CID 57407601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).