2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane

C16H28OSi — CID 70980503

IUPAC2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane
SMILESCC1(COCC[Si](C)(C)C)C=CC=CC1C1CC1
InChIInChI=1S/C16H28OSi/c1-16(13-17-11-12-18(2,3)4)10-6-5-7-15(16)14-8-9-14/h5-7,10,14-15H,8-9,11-13H2,1-4H3
InChIKeyKGHYNMRROSZYOF-UHFFFAOYSA-N
MW264.48 g/mol
LogP4.50
Rot. Bonds6

About 2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane

2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 70980503) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is 2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID70980503
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane
SMILESCC1(COCC[Si](C)(C)C)C=CC=CC1C1CC1
InChIInChI=1S/C16H28OSi/c1-16(13-17-11-12-18(2,3)4)10-6-5-7-15(16)14-8-9-14/h5-7,10,14-15H,8-9,11-13H2,1-4H3
InChIKeyKGHYNMRROSZYOF-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.50
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 2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane (CID 70980503) is 2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane is CC1(COCC[Si](C)(C)C)C=CC=CC1C1CC1.
What is the InChIKey of 2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is KGHYNMRROSZYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-16(13-17-11-12-18(2,3)4)10-6-5-7-15(16)14-8-9-14/h5-7,10,14-15H,8-9,11-13H2,1-4H3.
What are the key properties of 2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane?
2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 264.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopropyl-1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 70980503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).