(3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane

C41H66Si — CID 173472985

IUPAC(3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane
SMILESCCCCCCCCCCCCCCCCCCC1(CC2([SiH2]c3cc(C)cc(C)c3)C=C(C)C(C)=C2C)C=CC=CC1
InChIInChI=1S/C41H66Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-40(27-24-22-25-28-40)33-41(32-36(4)37(5)38(41)6)42-39-30-34(2)29-35(3)31-39/h22,24-25,27,29-32H,7-21,23,26,28,33,42H2,1-6H3
InChIKeyPGPMRVIHFVPUKC-UHFFFAOYSA-N
MW587.07 g/mol
LogP12.10
Rot. Bonds21

About (3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane

(3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane (PubChem CID 173472985) has the molecular formula C41H66Si and a molecular weight of 587.07 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane
PubChem CID173472985
Molecular FormulaC41H66Si
Molecular Weight587.07 g/mol
Exact Mass586.49
IUPAC Name(3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane
SMILESCCCCCCCCCCCCCCCCCCC1(CC2([SiH2]c3cc(C)cc(C)c3)C=C(C)C(C)=C2C)C=CC=CC1
InChIInChI=1S/C41H66Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-40(27-24-22-25-28-40)33-41(32-36(4)37(5)38(41)6)42-39-30-34(2)29-35(3)31-39/h22,24-25,27,29-32H,7-21,23,26,28,33,42H2,1-6H3
InChIKeyPGPMRVIHFVPUKC-UHFFFAOYSA-N
XLogP12.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.07
LogP ≤ 512.10
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

N,N-dimethyl-1-(1-octadecylcyclohexa-2,4-dien-1-yl)methanamine;hydrochloride
CID 175492807
(3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 161188362
1-[(1-hexadecylcyclohexa-2,4-dien-1-yl)methyl]-3,5-dinitrobenzene
CID 141175624
1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
CID 160960493
(1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 152546848
[5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane
CID 152751043
4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine
CID 151759391
(1-octylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 171390693
1-hexan-2-yl-2-[(1-tridecylcyclohexa-2,4-dien-1-yl)methyl]imidazole
CID 69406244
diethyl 2-[(1-hexylcyclohexa-2,4-dien-1-yl)methylidene]propanedioate
CID 140676685
dimethyl 2-[(1-pentylcyclohexa-2,4-dien-1-yl)methylidene]propanedioate
CID 137373887
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)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane?
The IUPAC name of (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) is (3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane.
What is the SMILES notation for (3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane?
The canonical SMILES for (3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane is CCCCCCCCCCCCCCCCCCC1(CC2([SiH2]c3cc(C)cc(C)c3)C=C(C)C(C)=C2C)C=CC=CC1.
What is the InChIKey of (3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane?
The InChIKey is PGPMRVIHFVPUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H66Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-40(27-24-22-25-28-40)33-41(32-36(4)37(5)38(41)6)42-39-30-34(2)29-35(3)31-39/h22,24-25,27,29-32H,7-21,23,26,28,33,42H2,1-6H3.
What are the key properties of (3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane?
(3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane has a molecular weight of 587.07 g/mol, XLogP of 12.10, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane is sourced from PubChem (CID 173472985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).