(3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol

C15H32O2Si — CID 15602533

IUPAC(3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol
SMILESC=C(C)[C@@H](O)[C@H](C)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-11(2)14(16)12(3)10-13(4)17-18(8,9)15(5,6)7/h12-14,16H,1,10H2,2-9H3/t12-,13+,14-/m1/s1
InChIKeyVIZAFPMVUXSUMU-HZSPNIEDSA-N
MW272.50 g/mol
LogP4.36
Rot. Bonds6

About (3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol

(3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol (PubChem CID 15602533) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol.

Molecular Properties

Compound Name(3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol
PubChem CID15602533
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol
SMILESC=C(C)[C@@H](O)[C@H](C)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-11(2)14(16)12(3)10-13(4)17-18(8,9)15(5,6)7/h12-14,16H,1,10H2,2-9H3/t12-,13+,14-/m1/s1
InChIKeyVIZAFPMVUXSUMU-HZSPNIEDSA-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

(4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-1-en-3-ol
CID 16006964
4-[Tert-butyl(dimethyl)silyl]oxy-6-methyl-2-methylidenehept-6-en-1-ol
CID 16115546
(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-1-en-3-ol
CID 50941155
(3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol
CID 56590593
(4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 60144990
(E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodo-4,6-dimethylhept-6-ene-2,3-diol
CID 102141087
(4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol
CID 134832360
(2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-en-1-ol
CID 134856951
(4S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol
CID 134857037
(4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol
CID 134964655
(5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol
CID 135041465
7-Methyl-2-trimethylsilyloct-1-en-3-ol
CID 135049603

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol?
The IUPAC name of (3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol (CID 15602533) is (3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol.
What is the SMILES notation for (3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol?
The canonical SMILES for (3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol is C=C(C)[C@@H](O)[C@H](C)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol?
The InChIKey is VIZAFPMVUXSUMU-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-11(2)14(16)12(3)10-13(4)17-18(8,9)15(5,6)7/h12-14,16H,1,10H2,2-9H3/t12-,13+,14-/m1/s1.
What are the key properties of (3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol?
(3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-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 (3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol is sourced from PubChem (CID 15602533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).