[3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane

C23H38OSi — CID 553900

IUPAC[3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane
SMILESCC(C=CC=C(C)CCO[Si](C)(C)C)=CC=C1C(C)=CCCC1(C)C
InChIInChI=1S/C23H38OSi/c1-19(11-9-12-20(2)16-18-24-25(6,7)8)14-15-22-21(3)13-10-17-23(22,4)5/h9,11-15H,10,16-18H2,1-8H3
InChIKeyBRQULYFCMPMQFL-UHFFFAOYSA-N
MW358.64 g/mol
LogP7.37
Rot. Bonds7

About [3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane

[3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane (PubChem CID 553900) has the molecular formula C23H38OSi and a molecular weight of 358.64 g/mol. Its IUPAC name is [3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane.

Molecular Properties

Compound Name[3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane
PubChem CID553900
Molecular FormulaC23H38OSi
Molecular Weight358.64 g/mol
Exact Mass358.27
IUPAC Name[3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane
SMILESCC(C=CC=C(C)CCO[Si](C)(C)C)=CC=C1C(C)=CCCC1(C)C
InChIInChI=1S/C23H38OSi/c1-19(11-9-12-20(2)16-18-24-25(6,7)8)14-15-22-21(3)13-10-17-23(22,4)5/h9,11-15H,10,16-18H2,1-8H3
InChIKeyBRQULYFCMPMQFL-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane?
The IUPAC name of [3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane (CID 553900) is [3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane.
What is the SMILES notation for [3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane?
The canonical SMILES for [3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane is CC(C=CC=C(C)CCO[Si](C)(C)C)=CC=C1C(C)=CCCC1(C)C.
What is the InChIKey of [3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane?
The InChIKey is BRQULYFCMPMQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38OSi/c1-19(11-9-12-20(2)16-18-24-25(6,7)8)14-15-22-21(3)13-10-17-23(22,4)5/h9,11-15H,10,16-18H2,1-8H3.
What are the key properties of [3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane?
[3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane has a molecular weight of 358.64 g/mol, XLogP of 7.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane is sourced from PubChem (CID 553900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).