2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol

C22H44OSi — CID 135049547

IUPAC2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol
SMILESC=C(C(O)(CCC=C(C)C)CCCCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C22H44OSi/c1-8-9-10-11-12-13-14-15-18-22(23,19-16-17-20(2)3)21(4)24(5,6)7/h17,23H,4,8-16,18-19H2,1-3,5-7H3
InChIKeyRATILCBLZSLSMC-UHFFFAOYSA-N
MW352.68 g/mol
LogP7.43
Rot. Bonds14

About 2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol

2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol (PubChem CID 135049547) has the molecular formula C22H44OSi and a molecular weight of 352.68 g/mol. Its IUPAC name is 2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol.

Molecular Properties

Compound Name2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol
PubChem CID135049547
Molecular FormulaC22H44OSi
Molecular Weight352.68 g/mol
Exact Mass352.32
IUPAC Name2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol
SMILESC=C(C(O)(CCC=C(C)C)CCCCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C22H44OSi/c1-8-9-10-11-12-13-14-15-18-22(23,19-16-17-20(2)3)21(4)24(5,6)7/h17,23H,4,8-16,18-19H2,1-3,5-7H3
InChIKeyRATILCBLZSLSMC-UHFFFAOYSA-N
XLogP7.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 57.43
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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Related Compounds

1-[(E)-1-trimethylsilyloct-1-en-2-yl]cyclohexan-1-ol
CID 11055139
1-[(Z)-1-trimethylsilyloct-1-enyl]cyclohexan-1-ol
CID 11098034
1-(Cyclohexen-1-yl)cyclododecan-1-ol
CID 14958093
1-[(E)-prop-1-enyl]cyclotetradecan-1-ol
CID 12081697
1-[(E)-prop-1-enyl]cyclopentadecan-1-ol
CID 17841693
1-[(E)-but-2-en-2-yl]cyclododecan-1-ol
CID 22315771
3-Methyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol
CID 85186382
5,9-Dimethyldocos-5-en-9-ol
CID 129866734
2,6-Dimethyloctadec-2-en-6-ol
CID 134843953
1-[(E)-but-2-en-2-yl]cyclotridecan-1-ol
CID 134875165
1-[(E)-but-2-en-2-yl]cyclopentadecan-1-ol
CID 134875297
1-[(E)-but-2-en-2-yl]cycloundecan-1-ol
CID 134894501

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol?
The IUPAC name of 2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol (CID 135049547) is 2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol.
What is the SMILES notation for 2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol?
The canonical SMILES for 2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol is C=C(C(O)(CCC=C(C)C)CCCCCCCCCC)[Si](C)(C)C.
What is the InChIKey of 2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol?
The InChIKey is RATILCBLZSLSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44OSi/c1-8-9-10-11-12-13-14-15-18-22(23,19-16-17-20(2)3)21(4)24(5,6)7/h17,23H,4,8-16,18-19H2,1-3,5-7H3.
What are the key properties of 2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol?
2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol has a molecular weight of 352.68 g/mol, XLogP of 7.43, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-trimethylsilylethenyl)hexadec-2-en-6-ol is sourced from PubChem (CID 135049547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).