(1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C20H32Si — CID 152546848

IUPAC(1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCCCCC1([SiH2]C2=C(C)C(C)=C(C)C2C)C=CC=CC1
InChIInChI=1S/C20H32Si/c1-6-7-9-12-20(13-10-8-11-14-20)21-19-17(4)15(2)16(3)18(19)5/h8,10-11,13,17H,6-7,9,12,14,21H2,1-5H3
InChIKeyYMQWCVBYDMGXHF-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.67
Rot. Bonds6

About (1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

(1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 152546848) has the molecular formula C20H32Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID152546848
Molecular FormulaC20H32Si
Molecular Weight300.56 g/mol
Exact Mass300.23
IUPAC Name(1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCCCCC1([SiH2]C2=C(C)C(C)=C(C)C2C)C=CC=CC1
InChIInChI=1S/C20H32Si/c1-6-7-9-12-20(13-10-8-11-14-20)21-19-17(4)15(2)16(3)18(19)5/h8,10-11,13,17H,6-7,9,12,14,21H2,1-5H3
InChIKeyYMQWCVBYDMGXHF-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 161188362
(3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane
CID 173472985
N,N-dimethyl-1-(1-octadecylcyclohexa-2,4-dien-1-yl)methanamine;hydrochloride
CID 175492807
(3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 159874355
(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane
CID 158857288
(1-octylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 171390693
diethyl 2-[(1-pentylcyclohexa-2,4-dien-1-yl)methylidene]propanedioate
CID 140676679
[1-(2-methylbutyl)cyclohexa-2,4-dien-1-yl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 160600525
1-[(1-hexadecylcyclohexa-2,4-dien-1-yl)methyl]-3,5-dinitrobenzene
CID 141175624
diethyl 2-[(1-hexylcyclohexa-2,4-dien-1-yl)methylidene]propanedioate
CID 140676685
1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
CID 160960493
(3-tert-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 158943270

Frequently Asked Questions

What is the IUPAC name of (1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of (1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 152546848) is (1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for (1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for (1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CCCCCC1([SiH2]C2=C(C)C(C)=C(C)C2C)C=CC=CC1.
What is the InChIKey of (1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is YMQWCVBYDMGXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32Si/c1-6-7-9-12-20(13-10-8-11-14-20)21-19-17(4)15(2)16(3)18(19)5/h8,10-11,13,17H,6-7,9,12,14,21H2,1-5H3.
What are the key properties of (1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
(1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 300.56 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 152546848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).