2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane

C19H28OSi — CID 15526604

IUPAC2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane
SMILESCC1CCCC=C1O[Si]1(c2ccccc2)C(C)CCC1C
InChIInChI=1S/C19H28OSi/c1-15-9-7-8-12-19(15)20-21(16(2)13-14-17(21)3)18-10-5-4-6-11-18/h4-6,10-12,15-17H,7-9,13-14H2,1-3H3
InChIKeyRACLHZATKMCWIY-UHFFFAOYSA-N
MW300.52 g/mol
LogP5.13
Rot. Bonds3

About 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane

2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane (PubChem CID 15526604) has the molecular formula C19H28OSi and a molecular weight of 300.52 g/mol. Its IUPAC name is 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane.

Molecular Properties

Compound Name2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane
PubChem CID15526604
Molecular FormulaC19H28OSi
Molecular Weight300.52 g/mol
Exact Mass300.19
IUPAC Name2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane
SMILESCC1CCCC=C1O[Si]1(c2ccccc2)C(C)CCC1C
InChIInChI=1S/C19H28OSi/c1-15-9-7-8-12-19(15)20-21(16(2)13-14-17(21)3)18-10-5-4-6-11-18/h4-6,10-12,15-17H,7-9,13-14H2,1-3H3
InChIKeyRACLHZATKMCWIY-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.52
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-1-(3-methylbut-1-en-2-yloxy)-1-phenylsilolane
CID 15526603
(6-methylcyclohexen-1-yl) nitrite
CID 163927289
1-chloro-2,5-dimethyl-1-phenylsilolane
CID 15205261
1,7-dimethylcycloheptene
CID 13493194
1-chloro-6-methylcyclohexene
CID 565192
1-chloro-2-(2-methoxycyclohex-2-en-1-yl)benzene
CID 155219938
(6-fluorocyclohexen-1-yl)benzene
CID 102284062
(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
1,2-dimethoxy-1-phenylsilolane
CID 175148918
cyclohexene;methylcyclohexane;toluene
CID 158972627
(1,1-diphenylsilolan-2-yl)oxy-trimethylsilane
CID 71387423
(6-ethoxycyclohexen-1-yl)benzene
CID 13170090

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane?
The IUPAC name of 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane (CID 15526604) is 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane.
What is the SMILES notation for 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane?
The canonical SMILES for 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane is CC1CCCC=C1O[Si]1(c2ccccc2)C(C)CCC1C.
What is the InChIKey of 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane?
The InChIKey is RACLHZATKMCWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28OSi/c1-15-9-7-8-12-19(15)20-21(16(2)13-14-17(21)3)18-10-5-4-6-11-18/h4-6,10-12,15-17H,7-9,13-14H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane?
2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane has a molecular weight of 300.52 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(6-methylcyclohexen-1-yl)oxy-1-phenylsilolane is sourced from PubChem (CID 15526604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).