(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol

C17H36O2Si — CID 24767663

IUPAC(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol
SMILESC=C[C@H](C)[C@@H](O)CC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-9-15(3)16(18)11-10-14(2)12-13-19-20(7,8)17(4,5)6/h9,14-16,18H,1,10-13H2,2-8H3/t14-,15-,16-/m0/s1
InChIKeyQEXPPJZHMZXBRO-JYJNAYRXSA-N
MW300.56 g/mol
LogP5.00
Rot. Bonds9

About (3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol

(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol (PubChem CID 24767663) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol.

Molecular Properties

Compound Name(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol
PubChem CID24767663
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol
SMILESC=C[C@H](C)[C@@H](O)CC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-9-15(3)16(18)11-10-14(2)12-13-19-20(7,8)17(4,5)6/h9,14-16,18H,1,10-13H2,2-8H3/t14-,15-,16-/m0/s1
InChIKeyQEXPPJZHMZXBRO-JYJNAYRXSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 55.00
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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Launch Full Analysis

Related Compounds

(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11291668
(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
CID 12022452
(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
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
(4S,5S,8R,9R)-5,8-bis(ethenyl)-2,11-dimethyldodecane-4,9-diol
CID 9971038
(3S,4S,7R,8R)-4,7-bis(ethenyl)-2,9-dimethyldecane-3,8-diol
CID 10015198
(5S,6S,9R,10R)-6,9-bis(ethenyl)tetradecane-5,10-diol
CID 10107840

Frequently Asked Questions

What is the IUPAC name of (3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol?
The IUPAC name of (3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol (CID 24767663) is (3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol.
What is the SMILES notation for (3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol?
The canonical SMILES for (3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol is C=C[C@H](C)[C@@H](O)CC[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol?
The InChIKey is QEXPPJZHMZXBRO-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-9-15(3)16(18)11-10-14(2)12-13-19-20(7,8)17(4,5)6/h9,14-16,18H,1,10-13H2,2-8H3/t14-,15-,16-/m0/s1.
What are the key properties of (3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol?
(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol has a molecular weight of 300.56 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol is sourced from PubChem (CID 24767663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).