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

C41H66Si — CID 161188362

IUPAC(3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC1([SiH](c2cc(C)cc(C)c2)C2C(C)=C(C)C(C)=C2C)C=CC=CC1
InChIInChI=1S/C41H66Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-41(28-25-23-26-29-41)42(39-31-33(2)30-34(3)32-39)40-37(6)35(4)36(5)38(40)7/h23,25-26,28,30-32,40,42H,8-22,24,27,29H2,1-7H3
InChIKeyGMGAZGNBZWKCMZ-UHFFFAOYSA-N
MW587.07 g/mol
LogP12.70
Rot. Bonds20

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

(3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 161188362) has the molecular formula C41H66Si and a molecular weight of 587.07 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID161188362
Molecular FormulaC41H66Si
Molecular Weight587.07 g/mol
Exact Mass586.49
IUPAC Name(3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC1([SiH](c2cc(C)cc(C)c2)C2C(C)=C(C)C(C)=C2C)C=CC=CC1
InChIInChI=1S/C41H66Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-41(28-25-23-26-29-41)42(39-31-33(2)30-34(3)32-39)40-37(6)35(4)36(5)38(40)7/h23,25-26,28,30-32,40,42H,8-22,24,27,29H2,1-7H3
InChIKeyGMGAZGNBZWKCMZ-UHFFFAOYSA-N
XLogP12.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.07
LogP ≤ 512.70
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

(1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 151431612
(1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 152546848
(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
(1-octylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 171390693
(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane
CID 158857288
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-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine
CID 81415787
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
diethyl 2-[(1-pentylcyclohexa-2,4-dien-1-yl)methylidene]propanedioate
CID 140676679

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 161188362) is (3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CCCCCCCCCCCCCCCCCCC1([SiH](c2cc(C)cc(C)c2)C2C(C)=C(C)C(C)=C2C)C=CC=CC1.
What is the InChIKey of (3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is GMGAZGNBZWKCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H66Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-41(28-25-23-26-29-41)42(39-31-33(2)30-34(3)32-39)40-37(6)35(4)36(5)38(40)7/h23,25-26,28,30-32,40,42H,8-22,24,27,29H2,1-7H3.
What are the key properties of (3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
(3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 587.07 g/mol, XLogP of 12.70, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 161188362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).