2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol

C17H36O2Si — CID 10870324

IUPAC2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol
SMILESC=C(C)C(O)CCC(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-12(2)17(18)11-10-16(9)19-20(13(3)4,14(5)6)15(7)8/h13-18H,1,10-11H2,2-9H3
InChIKeyNUOSMWWBLWQDTB-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.28
Rot. Bonds9

About 2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol

2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol (PubChem CID 10870324) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol.

Molecular Properties

Compound Name2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol
PubChem CID10870324
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol
SMILESC=C(C)C(O)CCC(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-12(2)17(18)11-10-16(9)19-20(13(3)4,14(5)6)15(7)8/h13-18H,1,10-11H2,2-9H3
InChIKeyNUOSMWWBLWQDTB-UHFFFAOYSA-N
XLogP5.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.28
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 2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol?
The IUPAC name of 2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol (CID 10870324) is 2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol.
What is the SMILES notation for 2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol?
The canonical SMILES for 2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol is C=C(C)C(O)CCC(C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol?
The InChIKey is NUOSMWWBLWQDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-12(2)17(18)11-10-16(9)19-20(13(3)4,14(5)6)15(7)8/h13-18H,1,10-11H2,2-9H3.
What are the key properties of 2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol?
2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol has a molecular weight of 300.56 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-tri(propan-2-yl)silyloxyhept-1-en-3-ol is sourced from PubChem (CID 10870324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).