3-tri(propan-2-yl)silyloxynon-1-en-4-ol

C18H38O2Si — CID 86173982

IUPAC3-tri(propan-2-yl)silyloxynon-1-en-4-ol
SMILESC=CC(O[Si](C(C)C)(C(C)C)C(C)C)C(O)CCCCC
InChIInChI=1S/C18H38O2Si/c1-9-11-12-13-17(19)18(10-2)20-21(14(3)4,15(5)6)16(7)8/h10,14-19H,2,9,11-13H2,1,3-8H3
InChIKeyQLYMHSGOIVLULA-UHFFFAOYSA-N
MW314.59 g/mol
LogP5.67
Rot. Bonds11

About 3-tri(propan-2-yl)silyloxynon-1-en-4-ol

3-tri(propan-2-yl)silyloxynon-1-en-4-ol (PubChem CID 86173982) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silyloxynon-1-en-4-ol.

Molecular Properties

Compound Name3-tri(propan-2-yl)silyloxynon-1-en-4-ol
PubChem CID86173982
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name3-tri(propan-2-yl)silyloxynon-1-en-4-ol
SMILESC=CC(O[Si](C(C)C)(C(C)C)C(C)C)C(O)CCCCC
InChIInChI=1S/C18H38O2Si/c1-9-11-12-13-17(19)18(10-2)20-21(14(3)4,15(5)6)16(7)8/h10,14-19H,2,9,11-13H2,1,3-8H3
InChIKeyQLYMHSGOIVLULA-UHFFFAOYSA-N
XLogP5.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.67
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

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
Ctk2E3476
CID 11246239
(1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol
CID 11846081
(2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol
CID 14107959
(E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol
CID 14185832
(4S,8S)-6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-4,8-diol
CID 16059317
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-9-ene-1,3-diol
CID 16119966
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyundec-1-en-4-ol
CID 44478239
(4S,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
CID 45113734
(4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
CID 46186047
(5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 46850138
(3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol
CID 50915370

Frequently Asked Questions

What is the IUPAC name of 3-tri(propan-2-yl)silyloxynon-1-en-4-ol?
The IUPAC name of 3-tri(propan-2-yl)silyloxynon-1-en-4-ol (CID 86173982) is 3-tri(propan-2-yl)silyloxynon-1-en-4-ol.
What is the SMILES notation for 3-tri(propan-2-yl)silyloxynon-1-en-4-ol?
The canonical SMILES for 3-tri(propan-2-yl)silyloxynon-1-en-4-ol is C=CC(O[Si](C(C)C)(C(C)C)C(C)C)C(O)CCCCC.
What is the InChIKey of 3-tri(propan-2-yl)silyloxynon-1-en-4-ol?
The InChIKey is QLYMHSGOIVLULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-9-11-12-13-17(19)18(10-2)20-21(14(3)4,15(5)6)16(7)8/h10,14-19H,2,9,11-13H2,1,3-8H3.
What are the key properties of 3-tri(propan-2-yl)silyloxynon-1-en-4-ol?
3-tri(propan-2-yl)silyloxynon-1-en-4-ol has a molecular weight of 314.59 g/mol, XLogP of 5.67, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yl)silyloxynon-1-en-4-ol is sourced from PubChem (CID 86173982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).