2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane

C17H34OSi — CID 164987021

IUPAC2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane
SMILESCC1C=CCC(CO[Si](C)(C)C(C)(C)C(C)C)C1C
InChIInChI=1S/C17H34OSi/c1-13(2)17(5,6)19(7,8)18-12-16-11-9-10-14(3)15(16)4/h9-10,13-16H,11-12H2,1-8H3
InChIKeyQQACEJJQYZYEIH-UHFFFAOYSA-N
MW282.54 g/mol
LogP5.49
Rot. Bonds5

About 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane

2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane (PubChem CID 164987021) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane
PubChem CID164987021
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane
SMILESCC1C=CCC(CO[Si](C)(C)C(C)(C)C(C)C)C1C
InChIInChI=1S/C17H34OSi/c1-13(2)17(5,6)19(7,8)18-12-16-11-9-10-14(3)15(16)4/h9-10,13-16H,11-12H2,1-8H3
InChIKeyQQACEJJQYZYEIH-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane?
The IUPAC name of 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane (CID 164987021) is 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane?
The canonical SMILES for 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane is CC1C=CCC(CO[Si](C)(C)C(C)(C)C(C)C)C1C.
What is the InChIKey of 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane?
The InChIKey is QQACEJJQYZYEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi/c1-13(2)17(5,6)19(7,8)18-12-16-11-9-10-14(3)15(16)4/h9-10,13-16H,11-12H2,1-8H3.
What are the key properties of 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane?
2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane has a molecular weight of 282.54 g/mol, XLogP of 5.49, 5 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-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 164987021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).