(E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol

C19H40O2Si — CID 89418000

IUPAC(E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol
SMILESC/C(=C\CCCCO[Si](C(C)C)(C(C)C)C(C)C)CCCO
InChIInChI=1S/C19H40O2Si/c1-16(2)22(17(3)4,18(5)6)21-15-10-8-9-12-19(7)13-11-14-20/h12,16-18,20H,8-11,13-15H2,1-7H3/b19-12+
InChIKeyBLDFBWSKSODCNS-XDHOZWIPSA-N
MW328.61 g/mol
LogP6.07
Rot. Bonds12

About (E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol

(E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol (PubChem CID 89418000) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is (E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol.

Molecular Properties

Compound Name(E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol
PubChem CID89418000
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Name(E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol
SMILESC/C(=C\CCCCO[Si](C(C)C)(C(C)C)C(C)C)CCCO
InChIInChI=1S/C19H40O2Si/c1-16(2)22(17(3)4,18(5)6)21-15-10-8-9-12-19(7)13-11-14-20/h12,16-18,20H,8-11,13-15H2,1-7H3/b19-12+
InChIKeyBLDFBWSKSODCNS-XDHOZWIPSA-N
XLogP6.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.07
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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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol?
The IUPAC name of (E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol (CID 89418000) is (E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol.
What is the SMILES notation for (E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol?
The canonical SMILES for (E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol is C/C(=C\CCCCO[Si](C(C)C)(C(C)C)C(C)C)CCCO.
What is the InChIKey of (E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol?
The InChIKey is BLDFBWSKSODCNS-XDHOZWIPSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-16(2)22(17(3)4,18(5)6)21-15-10-8-9-12-19(7)13-11-14-20/h12,16-18,20H,8-11,13-15H2,1-7H3/b19-12+.
What are the key properties of (E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol?
(E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol has a molecular weight of 328.61 g/mol, XLogP of 6.07, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-9-tri(propan-2-yl)silyloxynon-4-en-1-ol is sourced from PubChem (CID 89418000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).