(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane

C32H56Si — CID 158857288

IUPAC(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC1=C(C)C([SiH2]C2(C)C=CC=CC2)C=C1C
InChIInChI=1S/C32H56Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-30-28(2)27-31(29(30)3)33-32(4)25-22-20-23-26-32/h20,22-23,25,27,31H,5-19,21,24,26,33H2,1-4H3
InChIKeyHLDXIISDVDXCBG-UHFFFAOYSA-N
MW468.89 g/mol
LogP10.57
Rot. Bonds19

About (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane

(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane (PubChem CID 158857288) has the molecular formula C32H56Si and a molecular weight of 468.89 g/mol. Its IUPAC name is (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane
PubChem CID158857288
Molecular FormulaC32H56Si
Molecular Weight468.89 g/mol
Exact Mass468.42
IUPAC Name(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC1=C(C)C([SiH2]C2(C)C=CC=CC2)C=C1C
InChIInChI=1S/C32H56Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-30-28(2)27-31(29(30)3)33-32(4)25-22-20-23-26-32/h20,22-23,25,27,31H,5-19,21,24,26,33H2,1-4H3
InChIKeyHLDXIISDVDXCBG-UHFFFAOYSA-N
XLogP10.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.89
LogP ≤ 510.57
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'}

Analyze (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane with MolForge

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Launch Full Analysis

Related Compounds

(1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane
CID 159268031
N-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4-octyl-N-(4-octylphenyl)aniline
CID 140987019
(1-pentylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 152546848
(3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 161188362
N,N-dimethyl-1-(1-octadecylcyclohexa-2,4-dien-1-yl)methanamine;hydrochloride
CID 175492807
3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene
CID 143622573
1,2-dihexylcyclohexene
CID 19795043
(1-octylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 171390693
4-octyl-1-(4-octylphenyl)-7-thiabicyclo[4.1.0]hepta-2,4-diene
CID 164756230
(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
3-chloro-1-octylcycloheptene
CID 107383725
3-decyl-5,5-dimethylcyclohex-2-en-1-ol
CID 65177036

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane?
The IUPAC name of (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane (CID 158857288) is (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane.
What is the SMILES notation for (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane?
The canonical SMILES for (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane is CCCCCCCCCCCCCCCCCCC1=C(C)C([SiH2]C2(C)C=CC=CC2)C=C1C.
What is the InChIKey of (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane?
The InChIKey is HLDXIISDVDXCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-30-28(2)27-31(29(30)3)33-32(4)25-22-20-23-26-32/h20,22-23,25,27,31H,5-19,21,24,26,33H2,1-4H3.
What are the key properties of (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane?
(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane has a molecular weight of 468.89 g/mol, XLogP of 10.57, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane is sourced from PubChem (CID 158857288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).