2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane

C17H26OSi — CID 15526603

IUPAC2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane
SMILESC=C(O[Si]1(c2ccccc2)C(C)CCC1C)C(C)C
InChIInChI=1S/C17H26OSi/c1-13(2)16(5)18-19(14(3)11-12-15(19)4)17-9-7-6-8-10-17/h6-10,13-15H,5,11-12H2,1-4H3
InChIKeyDKRSORQPWROIHS-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.60
Rot. Bonds4

About 2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane

2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane (PubChem CID 15526603) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is 2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane.

Molecular Properties

Compound Name2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane
PubChem CID15526603
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Name2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane
SMILESC=C(O[Si]1(c2ccccc2)C(C)CCC1C)C(C)C
InChIInChI=1S/C17H26OSi/c1-13(2)16(5)18-19(14(3)11-12-15(19)4)17-9-7-6-8-10-17/h6-10,13-15H,5,11-12H2,1-4H3
InChIKeyDKRSORQPWROIHS-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2,5-dimethyl-1-phenylsilolane
CID 15205261
[(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene
CID 126633442
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
ethane;1-(2-ethylphenyl)ethenol;1-methyl-4-propan-2-ylcyclohexane
CID 143093806
[3-methyl-5-(3-methylbut-1-en-2-yl)cyclohexyl]benzene
CID 168781188
2-(3-methylcyclohexyl)-1-phenylpropan-1-ol
CID 104846164
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
(2R)-2-methyl-4-phenylpent-4-en-1-ol
CID 10535285
2-propan-2-yloxyprop-2-enylbenzene
CID 12057112
1-ethoxyethenyl(triphenyl)phosphanium
CID 3016976
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
1,2-dimethoxy-1-phenylsilolane
CID 175148918

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane?
The IUPAC name of 2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane (CID 15526603) is 2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane.
What is the SMILES notation for 2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane?
The canonical SMILES for 2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane is C=C(O[Si]1(c2ccccc2)C(C)CCC1C)C(C)C.
What is the InChIKey of 2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane?
The InChIKey is DKRSORQPWROIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OSi/c1-13(2)16(5)18-19(14(3)11-12-15(19)4)17-9-7-6-8-10-17/h6-10,13-15H,5,11-12H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane?
2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane has a molecular weight of 274.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane is sourced from PubChem (CID 15526603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).