3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol

C25H52O2Si — CID 123989502

IUPAC3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol
SMILESCC(=CCC(C)(C)CCCO[Si](C(C)C)(C(C)C)C(C)C)CC(C)(C)CCO
InChIInChI=1S/C25H52O2Si/c1-20(2)28(21(3)4,22(5)6)27-18-12-14-24(8,9)15-13-23(7)19-25(10,11)16-17-26/h13,20-22,26H,12,14-19H2,1-11H3
InChIKeyXQMXXPMEDVNEFB-UHFFFAOYSA-N
MW412.78 g/mol
LogP8.12
Rot. Bonds14

About 3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol

3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol (PubChem CID 123989502) has the molecular formula C25H52O2Si and a molecular weight of 412.78 g/mol. Its IUPAC name is 3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol.

Molecular Properties

Compound Name3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol
PubChem CID123989502
Molecular FormulaC25H52O2Si
Molecular Weight412.78 g/mol
Exact Mass412.37
IUPAC Name3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol
SMILESCC(=CCC(C)(C)CCCO[Si](C(C)C)(C(C)C)C(C)C)CC(C)(C)CCO
InChIInChI=1S/C25H52O2Si/c1-20(2)28(21(3)4,22(5)6)27-18-12-14-24(8,9)15-13-23(7)19-25(10,11)16-17-26/h13,20-22,26H,12,14-19H2,1-11H3
InChIKeyXQMXXPMEDVNEFB-UHFFFAOYSA-N
XLogP8.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 58.12
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[Tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol
CID 15092897
[(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
CID 14961478
[(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
CID 14961479
(4E,6E,9Z)-5,8-Dimethyl-4-((trimethylsilyl)methylene)tetradeca-6,9-dien-1-ol
CID 45259142
(E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol
CID 135022883
(t-Butyl-dimethylsilyl)[2-methyl-2-(4-methyl-pent-3-enyl)-cyclopropyl]-methanol
CID 552266
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
CID 14322955
2-(2,4,4,6,6-Pentamethylhept-2-enyl)butane-1,4-diol
CID 58721001
2-[3-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethanol;ethanol
CID 66939414
(E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol
CID 89418000
(1-Ethyl-4-trimethylsilyloxycyclohex-3-en-1-yl)methanol
CID 89746234
3,3,5,8,8-Pentamethylundec-5-ene-1,10-diol
CID 91356512

Frequently Asked Questions

What is the IUPAC name of 3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol?
The IUPAC name of 3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol (CID 123989502) is 3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol.
What is the SMILES notation for 3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol?
The canonical SMILES for 3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol is CC(=CCC(C)(C)CCCO[Si](C(C)C)(C(C)C)C(C)C)CC(C)(C)CCO.
What is the InChIKey of 3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol?
The InChIKey is XQMXXPMEDVNEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O2Si/c1-20(2)28(21(3)4,22(5)6)27-18-12-14-24(8,9)15-13-23(7)19-25(10,11)16-17-26/h13,20-22,26H,12,14-19H2,1-11H3.
What are the key properties of 3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol?
3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol has a molecular weight of 412.78 g/mol, XLogP of 8.12, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,8,8-pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol is sourced from PubChem (CID 123989502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).