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

C15H32O2Si — CID 11161623

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(O)CC
InChIInChI=1S/C15H32O2Si/c1-10-12(16)15(6,7)13(11-2)17-18(8,9)14(3,4)5/h11-13,16H,2,10H2,1,3-9H3/t12?,13-/m0/s1
InChIKeyIFOCPFZIIDMBQX-ABLWVSNPSA-N
MW272.50 g/mol
LogP4.36
Rot. Bonds6

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

(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol (PubChem CID 11161623) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol
PubChem CID11161623
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(O)CC
InChIInChI=1S/C15H32O2Si/c1-10-12(16)15(6,7)13(11-2)17-18(8,9)14(3,4)5/h11-13,16H,2,10H2,1,3-9H3/t12?,13-/m0/s1
InChIKeyIFOCPFZIIDMBQX-ABLWVSNPSA-N
XLogP4.36
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 ≤ 54.36
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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Related Compounds

(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
CID 11580263
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(3R,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523928
(4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-1-en-3-ol
CID 16006964
(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol
CID 101897818

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol (CID 11161623) is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol is C=C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(O)CC.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol?
The InChIKey is IFOCPFZIIDMBQX-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-10-12(16)15(6,7)13(11-2)17-18(8,9)14(3,4)5/h11-13,16H,2,10H2,1,3-9H3/t12?,13-/m0/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol?
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol has a molecular weight of 272.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol is sourced from PubChem (CID 11161623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).