(E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol

C19H38O2Si — CID 135022883

IUPAC(E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol
SMILESC=C(/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C)CCCCO
InChIInChI=1S/C19H38O2Si/c1-17(12-8-10-14-20)16-18(2)13-9-11-15-21-22(6,7)19(3,4)5/h16,20H,1,8-15H2,2-7H3/b18-16+
InChIKeyXDJOMNVVIXNUFX-FBMGVBCBSA-N
MW326.60 g/mol
LogP5.84
Rot. Bonds11

About (E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol

(E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol (PubChem CID 135022883) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol.

Molecular Properties

Compound Name(E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol
PubChem CID135022883
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol
SMILESC=C(/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C)CCCCO
InChIInChI=1S/C19H38O2Si/c1-17(12-8-10-14-20)16-18(2)13-9-11-15-21-22(6,7)19(3,4)5/h16,20H,1,8-15H2,2-7H3/b18-16+
InChIKeyXDJOMNVVIXNUFX-FBMGVBCBSA-N
XLogP5.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol
CID 53341832
(3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol
CID 102108791
(E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol
CID 135008815
(5Z,8E,10Z,13E)-10-methyl-8-(trimethylsilylmethylidene)pentadeca-5,10,13-trien-1-ol
CID 135008828
tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane
CID 135022884
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
CID 14322955
(2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol
CID 10669838
(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol
CID 23253472
10-[Tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dien-1-ol
CID 57144052
tert-butyl-[(6E,8E,10E,14E)-icosa-6,8,10,14-tetraenoxy]-dimethylsilane
CID 88461921

Frequently Asked Questions

What is the IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol?
The IUPAC name of (E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol (CID 135022883) is (E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol.
What is the SMILES notation for (E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol?
The canonical SMILES for (E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol is C=C(/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C)CCCCO.
What is the InChIKey of (E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol?
The InChIKey is XDJOMNVVIXNUFX-FBMGVBCBSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-17(12-8-10-14-20)16-18(2)13-9-11-15-21-22(6,7)19(3,4)5/h16,20H,1,8-15H2,2-7H3/b18-16+.
What are the key properties of (E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol?
(E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol has a molecular weight of 326.60 g/mol, XLogP of 5.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol is sourced from PubChem (CID 135022883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).