(1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane

C36H56Si — CID 159268031

IUPAC(1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC1=C(c2ccccc2)C=CC1[SiH2]C1(C)C=CC=CC1
InChIInChI=1S/C36H56Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-34-33(32-25-20-18-21-26-32)28-29-35(34)37-36(2)30-23-19-24-31-36/h18-21,23-26,28-30,35H,3-17,22,27,31,37H2,1-2H3
InChIKeyLZGNOOLRBODZEU-UHFFFAOYSA-N
MW516.93 g/mol
LogP11.31
Rot. Bonds20

About (1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane

(1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 159268031) has the molecular formula C36H56Si and a molecular weight of 516.93 g/mol. Its IUPAC name is (1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane
PubChem CID159268031
Molecular FormulaC36H56Si
Molecular Weight516.93 g/mol
Exact Mass516.42
IUPAC Name(1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCCCCCCCCCCCCCCCC1=C(c2ccccc2)C=CC1[SiH2]C1(C)C=CC=CC1
InChIInChI=1S/C36H56Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-34-33(32-25-20-18-21-26-32)28-29-35(34)37-36(2)30-23-19-24-31-36/h18-21,23-26,28-30,35H,3-17,22,27,31,37H2,1-2H3
InChIKeyLZGNOOLRBODZEU-UHFFFAOYSA-N
XLogP11.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.93
LogP ≤ 511.31
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

(2,4-dimethyl-3-octadecylcyclopenta-2,4-dien-1-yl)-(1-methylcyclohexa-2,4-dien-1-yl)silane
CID 158857288
1,1'-biphenyl;hexadecane
CID 173308514
N-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4-octyl-N-(4-octylphenyl)aniline
CID 140987019
(1-pentoxycyclohexa-2,4-dien-1-yl)benzene
CID 154489063
1,6-difluoro-5-octyl-5-pentyl-2-(4-phenylphenyl)cyclohexa-1,3-diene
CID 67861672
2-octylazulene
CID 101406191
1-pentadecyl-4-phenylbenzene
CID 57166115
benzyl-dodecyl-methylazanium hydroxide
CID 87456417
3-hexadecyl-2-phenylthiophene
CID 101022658
(2-decylcyclobuten-1-yl)benzene
CID 10825946
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane (CID 159268031) is (1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane is CCCCCCCCCCCCCCCCCCC1=C(c2ccccc2)C=CC1[SiH2]C1(C)C=CC=CC1.
What is the InChIKey of (1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is LZGNOOLRBODZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-34-33(32-25-20-18-21-26-32)28-29-35(34)37-36(2)30-23-19-24-31-36/h18-21,23-26,28-30,35H,3-17,22,27,31,37H2,1-2H3.
What are the key properties of (1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane?
(1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 516.93 g/mol, XLogP of 11.31, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexa-2,4-dien-1-yl)-(2-octadecyl-3-phenylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 159268031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).