(2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol

C15H32O2Si — CID 134854744

IUPAC(2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol
SMILESC=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)O
InChIInChI=1S/C15H32O2Si/c1-10-11(2)14(12(3)13(4)16)17-18(8,9)15(5,6)7/h10-14,16H,1H2,2-9H3/t11-,12-,13-,14+/m0/s1
InChIKeyRUJNYIAWCVKTDG-XDQVBPFNSA-N
MW272.50 g/mol
LogP4.22
Rot. Bonds6

About (2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol

(2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol (PubChem CID 134854744) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol
PubChem CID134854744
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol
SMILESC=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)O
InChIInChI=1S/C15H32O2Si/c1-10-11(2)14(12(3)13(4)16)17-18(8,9)15(5,6)7/h10-14,16H,1H2,2-9H3/t11-,12-,13-,14+/m0/s1
InChIKeyRUJNYIAWCVKTDG-XDQVBPFNSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol?
The IUPAC name of (2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol (CID 134854744) is (2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol.
What is the SMILES notation for (2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol?
The canonical SMILES for (2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol is C=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)O.
What is the InChIKey of (2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol?
The InChIKey is RUJNYIAWCVKTDG-XDQVBPFNSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-10-11(2)14(12(3)13(4)16)17-18(8,9)15(5,6)7/h10-14,16H,1H2,2-9H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of (2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol?
(2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol has a molecular weight of 272.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol is sourced from PubChem (CID 134854744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).