(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol

C18H38O2Si — CID 10335821

IUPAC(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol
SMILESC=CCC[C@H](O)[C@H](CCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si/c1-8-10-12-13-15-17(16(19)14-11-9-2)20-21(6,7)18(3,4)5/h9,16-17,19H,2,8,10-15H2,1,3-7H3/t16-,17-/m0/s1
InChIKeyORAVQTUWVCYFCJ-IRXDYDNUSA-N
MW314.59 g/mol
LogP5.67
Rot. Bonds11

About (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol

(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol (PubChem CID 10335821) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol.

Molecular Properties

Compound Name(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol
PubChem CID10335821
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol
SMILESC=CCC[C@H](O)[C@H](CCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si/c1-8-10-12-13-15-17(16(19)14-11-9-2)20-21(6,7)18(3,4)5/h9,16-17,19H,2,8,10-15H2,1,3-7H3/t16-,17-/m0/s1
InChIKeyORAVQTUWVCYFCJ-IRXDYDNUSA-N
XLogP5.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.67
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol?
The IUPAC name of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol (CID 10335821) is (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol.
What is the SMILES notation for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol?
The canonical SMILES for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol is C=CCC[C@H](O)[C@H](CCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol?
The InChIKey is ORAVQTUWVCYFCJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-8-10-12-13-15-17(16(19)14-11-9-2)20-21(6,7)18(3,4)5/h9,16-17,19H,2,8,10-15H2,1,3-7H3/t16-,17-/m0/s1.
What are the key properties of (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol?
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol has a molecular weight of 314.59 g/mol, XLogP of 5.67, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxydodec-1-en-5-ol is sourced from PubChem (CID 10335821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).