4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane

C27H46Si — CID 54334262

IUPAC4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(C2CCC(c3ccc(C[C@@H](C)CC)cc3)CC2)CC1
InChIInChI=1S/C27H46Si/c1-4-6-7-18-28-19-16-27(17-20-28)26-14-12-25(13-15-26)24-10-8-23(9-11-24)21-22(3)5-2/h8-11,22,25-28H,4-7,12-21H2,1-3H3/t22-,25?,26?,27?,28?/m0/s1
InChIKeyTUILDUQOIISOMQ-CIPBXAIYSA-N
MW398.75 g/mol
LogP8.38
Rot. Bonds9

About 4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane

4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane (PubChem CID 54334262) has the molecular formula C27H46Si and a molecular weight of 398.75 g/mol. Its IUPAC name is 4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane.

Molecular Properties

Compound Name4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane
PubChem CID54334262
Molecular FormulaC27H46Si
Molecular Weight398.75 g/mol
Exact Mass398.34
IUPAC Name4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(C2CCC(c3ccc(C[C@@H](C)CC)cc3)CC2)CC1
InChIInChI=1S/C27H46Si/c1-4-6-7-18-28-19-16-27(17-20-28)26-14-12-25(13-15-26)24-10-8-23(9-11-24)21-22(3)5-2/h8-11,22,25-28H,4-7,12-21H2,1-3H3/t22-,25?,26?,27?,28?/m0/s1
InChIKeyTUILDUQOIISOMQ-CIPBXAIYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.75
LogP ≤ 58.38
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-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine
CID 170248520
methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 157183380
methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 160959856
4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
CID 54727604
4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane
CID 54554709
4-(4-fluorophenyl)-1-heptylsilinane
CID 54037116
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-(2-methylbutyl)-4-[4-(4-octylphenyl)cyclohexyl]cyclohexane-1-carbonitrile
CID 19979922
4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
CID 54735607
1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
CID 20539044
1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
CID 20538885
4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane
CID 54164040

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane?
The IUPAC name of 4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane (CID 54334262) is 4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane.
What is the SMILES notation for 4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane?
The canonical SMILES for 4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane is CCCCC[SiH]1CCC(C2CCC(c3ccc(C[C@@H](C)CC)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane?
The InChIKey is TUILDUQOIISOMQ-CIPBXAIYSA-N. The full InChI is InChI=1S/C27H46Si/c1-4-6-7-18-28-19-16-27(17-20-28)26-14-12-25(13-15-26)24-10-8-23(9-11-24)21-22(3)5-2/h8-11,22,25-28H,4-7,12-21H2,1-3H3/t22-,25?,26?,27?,28?/m0/s1.
What are the key properties of 4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane?
4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane has a molecular weight of 398.75 g/mol, XLogP of 8.38, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane is sourced from PubChem (CID 54334262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).