(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol

C15H32O2Si — CID 134993137

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

About (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol

(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol (PubChem CID 134993137) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol.

Molecular Properties

Compound Name(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
PubChem CID134993137
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
SMILESC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-10-11(2)14(16)12(3)13(4)17-18(8,9)15(5,6)7/h10-14,16H,1H2,2-9H3/t11-,12-,13-,14+/m0/s1
InChIKeyPLDDVUFBJKKZPL-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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Related Compounds

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
(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
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-en-2-ol
CID 138985053
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
CID 11580263
(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol?
The IUPAC name of (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol (CID 134993137) is (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol.
What is the SMILES notation for (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol?
The canonical SMILES for (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol is C=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol?
The InChIKey is PLDDVUFBJKKZPL-XDQVBPFNSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-10-11(2)14(16)12(3)13(4)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 (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol?
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-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 (3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol is sourced from PubChem (CID 134993137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).