cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane

C23H26OSi — CID 139964888

IUPACcyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane
SMILESC=CCOc1c(C[Si](C)(C)C2=CC=CC2)cccc1-c1ccccc1
InChIInChI=1S/C23H26OSi/c1-4-17-24-23-20(18-25(2,3)21-14-8-9-15-21)13-10-16-22(23)19-11-6-5-7-12-19/h4-14,16H,1,15,17-18H2,2-3H3
InChIKeyMYOKKXMQRGMQHN-UHFFFAOYSA-N
MW346.55 g/mol
LogP6.13
Rot. Bonds7

About cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane

cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane (PubChem CID 139964888) has the molecular formula C23H26OSi and a molecular weight of 346.55 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane
PubChem CID139964888
Molecular FormulaC23H26OSi
Molecular Weight346.55 g/mol
Exact Mass346.18
IUPAC Namecyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane
SMILESC=CCOc1c(C[Si](C)(C)C2=CC=CC2)cccc1-c1ccccc1
InChIInChI=1S/C23H26OSi/c1-4-17-24-23-20(18-25(2,3)21-14-8-9-15-21)13-10-16-22(23)19-11-6-5-7-12-19/h4-14,16H,1,15,17-18H2,2-3H3
InChIKeyMYOKKXMQRGMQHN-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.55
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl-cyclopenta-1,3-dien-1-yl-dimethylsilane
CID 11344922
1-bromo-3-phenyl-2-prop-2-enoxybenzene
CID 18347636
1-bromo-4,5-difluoro-2-(3-phenyl-2-prop-2-enoxyphenyl)benzene
CID 139964980
2-ethoxy-1,3-diphenylbenzene;zinc
CID 175181234
3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine
CID 141482512
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
1-(2-ethylphenyl)-4-(3-prop-2-enoxyphenyl)triazole
CID 20977591
4-phenyl-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 155642904
6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one
CID 171904871
1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649
1-N,2-N-bis(4-methylphenyl)-4-phenyl-3-prop-2-enoxybenzene-1,2-diamine
CID 139705769
formic acid;1-phenyl-2-prop-2-enylbenzene
CID 174921582

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane?
The IUPAC name of cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane (CID 139964888) is cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane?
The canonical SMILES for cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane is C=CCOc1c(C[Si](C)(C)C2=CC=CC2)cccc1-c1ccccc1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane?
The InChIKey is MYOKKXMQRGMQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26OSi/c1-4-17-24-23-20(18-25(2,3)21-14-8-9-15-21)13-10-16-22(23)19-11-6-5-7-12-19/h4-14,16H,1,15,17-18H2,2-3H3.
What are the key properties of cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane?
cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane has a molecular weight of 346.55 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl-dimethyl-[(3-phenyl-2-prop-2-enoxyphenyl)methyl]silane is sourced from PubChem (CID 139964888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).