2-[bis(trimethylsilyl)methyl]non-1-en-4-ol

C16H36OSi2 — CID 101415728

IUPAC2-[bis(trimethylsilyl)methyl]non-1-en-4-ol
SMILESC=C(CC(O)CCCCC)C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H36OSi2/c1-9-10-11-12-15(17)13-14(2)16(18(3,4)5)19(6,7)8/h15-17H,2,9-13H2,1,3-8H3
InChIKeyWAZXCVHIFQYKMJ-UHFFFAOYSA-N
MW300.64 g/mol
LogP5.46
Rot. Bonds9

About 2-[bis(trimethylsilyl)methyl]non-1-en-4-ol

2-[bis(trimethylsilyl)methyl]non-1-en-4-ol (PubChem CID 101415728) has the molecular formula C16H36OSi2 and a molecular weight of 300.64 g/mol. Its IUPAC name is 2-[bis(trimethylsilyl)methyl]non-1-en-4-ol.

Molecular Properties

Compound Name2-[bis(trimethylsilyl)methyl]non-1-en-4-ol
PubChem CID101415728
Molecular FormulaC16H36OSi2
Molecular Weight300.64 g/mol
Exact Mass300.23
IUPAC Name2-[bis(trimethylsilyl)methyl]non-1-en-4-ol
SMILESC=C(CC(O)CCCCC)C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H36OSi2/c1-9-10-11-12-15(17)13-14(2)16(18(3,4)5)19(6,7)8/h15-17H,2,9-13H2,1,3-8H3
InChIKeyWAZXCVHIFQYKMJ-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.64
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-[bis(trimethylsilyl)methyl]non-1-en-4-ol?
The IUPAC name of 2-[bis(trimethylsilyl)methyl]non-1-en-4-ol (CID 101415728) is 2-[bis(trimethylsilyl)methyl]non-1-en-4-ol.
What is the SMILES notation for 2-[bis(trimethylsilyl)methyl]non-1-en-4-ol?
The canonical SMILES for 2-[bis(trimethylsilyl)methyl]non-1-en-4-ol is C=C(CC(O)CCCCC)C([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2-[bis(trimethylsilyl)methyl]non-1-en-4-ol?
The InChIKey is WAZXCVHIFQYKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36OSi2/c1-9-10-11-12-15(17)13-14(2)16(18(3,4)5)19(6,7)8/h15-17H,2,9-13H2,1,3-8H3.
What are the key properties of 2-[bis(trimethylsilyl)methyl]non-1-en-4-ol?
2-[bis(trimethylsilyl)methyl]non-1-en-4-ol has a molecular weight of 300.64 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(trimethylsilyl)methyl]non-1-en-4-ol is sourced from PubChem (CID 101415728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).