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

C23H38OSi — CID 5366798

IUPAC[(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane
SMILESCC1=CCCC(C)(C)/C1=C/C=C(C)/C=C/C=C(\C)CCO[Si](C)(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/b11-9+,19-14+,20-12+,22-15+
InChIKeyBRQULYFCMPMQFL-JYWHSYTOSA-N
MW358.64 g/mol
LogP7.37
Rot. Bonds7

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

[(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane (PubChem CID 5366798) has the molecular formula C23H38OSi and a molecular weight of 358.64 g/mol. Its IUPAC name is [(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane
PubChem CID5366798
Molecular FormulaC23H38OSi
Molecular Weight358.64 g/mol
Exact Mass358.27
IUPAC Name[(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane
SMILESCC1=CCCC(C)(C)/C1=C/C=C(C)/C=C/C=C(\C)CCO[Si](C)(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/b11-9+,19-14+,20-12+,22-15+
InChIKeyBRQULYFCMPMQFL-JYWHSYTOSA-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'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane?
The IUPAC name of [(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane (CID 5366798) is [(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane.
What is the SMILES notation for [(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane?
The canonical SMILES for [(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane is CC1=CCCC(C)(C)/C1=C/C=C(C)/C=C/C=C(\C)CCO[Si](C)(C)C.
What is the InChIKey of [(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane?
The InChIKey is BRQULYFCMPMQFL-JYWHSYTOSA-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/b11-9+,19-14+,20-12+,22-15+.
What are the key properties of [(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane?
[(3E,5E,7E,9Z)-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 [(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoxy]-trimethylsilane is sourced from PubChem (CID 5366798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).