7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol

C23H30OSi — CID 44604092

IUPAC7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol
SMILESC[Si](C)(C(=C=CCCCCO)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H30OSi/c1-25(2,22-15-10-6-11-16-22)23(17-9-3-4-12-20-24)19-18-21-13-7-5-8-14-21/h5-11,13-16,24H,3-4,12,18-20H2,1-2H3
InChIKeyPBDJGZMAJOAZLC-UHFFFAOYSA-N
MW350.58 g/mol
LogP5.02
Rot. Bonds9

About 7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol

7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol (PubChem CID 44604092) has the molecular formula C23H30OSi and a molecular weight of 350.58 g/mol. Its IUPAC name is 7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol.

Molecular Properties

Compound Name7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol
PubChem CID44604092
Molecular FormulaC23H30OSi
Molecular Weight350.58 g/mol
Exact Mass350.21
IUPAC Name7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol
SMILESC[Si](C)(C(=C=CCCCCO)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H30OSi/c1-25(2,22-15-10-6-11-16-22)23(17-9-3-4-12-20-24)19-18-21-13-7-5-8-14-21/h5-11,13-16,24H,3-4,12,18-20H2,1-2H3
InChIKeyPBDJGZMAJOAZLC-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.02
H-Bond Donors ≤ 51
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 7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol?
The IUPAC name of 7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol (CID 44604092) is 7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol.
What is the SMILES notation for 7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol?
The canonical SMILES for 7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol is C[Si](C)(C(=C=CCCCCO)CCc1ccccc1)c1ccccc1.
What is the InChIKey of 7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol?
The InChIKey is PBDJGZMAJOAZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30OSi/c1-25(2,22-15-10-6-11-16-22)23(17-9-3-4-12-20-24)19-18-21-13-7-5-8-14-21/h5-11,13-16,24H,3-4,12,18-20H2,1-2H3.
What are the key properties of 7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol?
7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol has a molecular weight of 350.58 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[dimethyl(phenyl)silyl]-9-phenylnona-5,6-dien-1-ol is sourced from PubChem (CID 44604092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).