(E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol

C20H42O2Si — CID 135014074

IUPAC(E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol
SMILESCCC[C@H](O)C/C(C)=C/[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42O2Si/c1-10-11-20(21)13-18(8)12-19(9)14-22-23(15(2)3,16(4)5)17(6)7/h12,15-17,19-21H,10-11,13-14H2,1-9H3/b18-12+/t19-,20+/m1/s1
InChIKeyBETGDEGFQJVBKA-FRKBIFFFSA-N
MW342.64 g/mol
LogP6.31
Rot. Bonds11

About (E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol

(E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol (PubChem CID 135014074) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is (E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol.

Molecular Properties

Compound Name(E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol
PubChem CID135014074
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Name(E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol
SMILESCCC[C@H](O)C/C(C)=C/[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42O2Si/c1-10-11-20(21)13-18(8)12-19(9)14-22-23(15(2)3,16(4)5)17(6)7/h12,15-17,19-21H,10-11,13-14H2,1-9H3/b18-12+/t19-,20+/m1/s1
InChIKeyBETGDEGFQJVBKA-FRKBIFFFSA-N
XLogP6.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 56.31
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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Frequently Asked Questions

What is the IUPAC name of (E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol?
The IUPAC name of (E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol (CID 135014074) is (E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol.
What is the SMILES notation for (E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol?
The canonical SMILES for (E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol is CCC[C@H](O)C/C(C)=C/[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol?
The InChIKey is BETGDEGFQJVBKA-FRKBIFFFSA-N. The full InChI is InChI=1S/C20H42O2Si/c1-10-11-20(21)13-18(8)12-19(9)14-22-23(15(2)3,16(4)5)17(6)7/h12,15-17,19-21H,10-11,13-14H2,1-9H3/b18-12+/t19-,20+/m1/s1.
What are the key properties of (E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol?
(E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol has a molecular weight of 342.64 g/mol, XLogP of 6.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol is sourced from PubChem (CID 135014074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).