methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate

C19H36O2Si — CID 14569487

IUPACmethyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate
SMILESC=CC(=C)CC(CCCCCCCC)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-8-10-11-12-13-14-15-19(18(20)21-4,22(5,6)7)16-17(3)9-2/h9H,2-3,8,10-16H2,1,4-7H3
InChIKeyFIPPSZRDGAVRRO-UHFFFAOYSA-N
MW324.58 g/mol
LogP6.12
Rot. Bonds12

About methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate

methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate (PubChem CID 14569487) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate.

Molecular Properties

Compound Namemethyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate
PubChem CID14569487
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Namemethyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate
SMILESC=CC(=C)CC(CCCCCCCC)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-8-10-11-12-13-14-15-19(18(20)21-4,22(5,6)7)16-17(3)9-2/h9H,2-3,8,10-16H2,1,4-7H3
InChIKeyFIPPSZRDGAVRRO-UHFFFAOYSA-N
XLogP6.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 56.12
H-Bond Donors ≤ 50
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-9-triethylsilylnon-8-enoate
CID 12996061
methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate
CID 102203799
Methyl 2-dec-9-enyldodec-11-enoate
CID 102509342
Methyl 2-dodec-11-enyltetradec-13-enoate
CID 102509343
Methyl trans-9,10-methylene octanodecanoate
CID 129854127
Methyl 12-ethenyl-13-methyltetradec-13-enoate
CID 134916394
Methyl 11-methylidene-13-triethylsilyltridecanoate
CID 135061991
methyl (E)-11-(triethylsilyl)undec-10-enoate
CID 154701885
Methyl 10-methylidene-12-trimethylsilyldodecanoate
CID 176427897
13-Tetradecenoic acid, 2,4,6,8-tetramethyl-, methyl ester, (2S,4R,6R,8R)-(+)-
CID 560347
Methyl 2-octyldec-9-enoate
CID 53867512
Trimethylsilyl 2-ethenylundecanoate
CID 54439098

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate?
The IUPAC name of methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate (CID 14569487) is methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate.
What is the SMILES notation for methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate?
The canonical SMILES for methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate is C=CC(=C)CC(CCCCCCCC)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate?
The InChIKey is FIPPSZRDGAVRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-8-10-11-12-13-14-15-19(18(20)21-4,22(5,6)7)16-17(3)9-2/h9H,2-3,8,10-16H2,1,4-7H3.
What are the key properties of methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate?
methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate has a molecular weight of 324.58 g/mol, XLogP of 6.12, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylidenebut-3-enyl)-2-trimethylsilyldecanoate is sourced from PubChem (CID 14569487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).