2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane

C19H40OSi — CID 554863

IUPAC2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane
SMILESC=CCCCCCCCCCO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C19H40OSi/c1-8-9-10-11-12-13-14-15-16-17-20-21(6,7)19(4,5)18(2)3/h8,18H,1,9-17H2,2-7H3
InChIKeyFRZPIQPCAANEJB-UHFFFAOYSA-N
MW312.61 g/mol
LogP6.95
Rot. Bonds13

About 2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane

2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane (PubChem CID 554863) has the molecular formula C19H40OSi and a molecular weight of 312.61 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane
PubChem CID554863
Molecular FormulaC19H40OSi
Molecular Weight312.61 g/mol
Exact Mass312.28
IUPAC Name2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane
SMILESC=CCCCCCCCCCO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C19H40OSi/c1-8-9-10-11-12-13-14-15-16-17-20-21(6,7)19(4,5)18(2)3/h8,18H,1,9-17H2,2-7H3
InChIKeyFRZPIQPCAANEJB-UHFFFAOYSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.61
LogP ≤ 56.95
H-Bond Donors ≤ 50
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 2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane?
The IUPAC name of 2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane (CID 554863) is 2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane?
The canonical SMILES for 2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane is C=CCCCCCCCCCO[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane?
The InChIKey is FRZPIQPCAANEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40OSi/c1-8-9-10-11-12-13-14-15-16-17-20-21(6,7)19(4,5)18(2)3/h8,18H,1,9-17H2,2-7H3.
What are the key properties of 2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane?
2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane has a molecular weight of 312.61 g/mol, XLogP of 6.95, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl-dimethyl-undec-10-enoxysilane is sourced from PubChem (CID 554863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).