(1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane

C18H28OSi — CID 70017508

IUPAC(1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane
SMILESCCCCOC1([Si](C)(C)C2=CC=CC2)CC=CC=C1C
InChIInChI=1S/C18H28OSi/c1-5-6-15-19-18(14-10-9-11-16(18)2)20(3,4)17-12-7-8-13-17/h7-12H,5-6,13-15H2,1-4H3
InChIKeyAPQNCYUHHRKYOF-UHFFFAOYSA-N
MW288.51 g/mol
LogP5.12
Rot. Bonds6

About (1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane

(1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane (PubChem CID 70017508) has the molecular formula C18H28OSi and a molecular weight of 288.51 g/mol. Its IUPAC name is (1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane.

Molecular Properties

Compound Name(1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane
PubChem CID70017508
Molecular FormulaC18H28OSi
Molecular Weight288.51 g/mol
Exact Mass288.19
IUPAC Name(1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane
SMILESCCCCOC1([Si](C)(C)C2=CC=CC2)CC=CC=C1C
InChIInChI=1S/C18H28OSi/c1-5-6-15-19-18(14-10-9-11-16(18)2)20(3,4)17-12-7-8-13-17/h7-12H,5-6,13-15H2,1-4H3
InChIKeyAPQNCYUHHRKYOF-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.51
LogP ≤ 55.12
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'}

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Frequently Asked Questions

What is the IUPAC name of (1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane?
The IUPAC name of (1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane (CID 70017508) is (1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane.
What is the SMILES notation for (1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane?
The canonical SMILES for (1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane is CCCCOC1([Si](C)(C)C2=CC=CC2)CC=CC=C1C.
What is the InChIKey of (1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane?
The InChIKey is APQNCYUHHRKYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OSi/c1-5-6-15-19-18(14-10-9-11-16(18)2)20(3,4)17-12-7-8-13-17/h7-12H,5-6,13-15H2,1-4H3.
What are the key properties of (1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane?
(1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane has a molecular weight of 288.51 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane is sourced from PubChem (CID 70017508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).