methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen

C28H54 — CID 157183380

IUPACmethane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
SMILESC.C.CCCC1CCC(C2CCC(c3ccc(CC(C)CC)cc3)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C26H42.2CH4.2H2/c1-4-6-21-7-11-23(12-8-21)25-15-17-26(18-16-25)24-13-9-22(10-14-24)19-20(3)5-2;;;;/h9-10,13-14,20-21,23,25-26H,4-8,11-12,15-19H2,1-3H3;2*1H4;2*1H
InChIKeyAOVBLKZVDGGWQN-UHFFFAOYSA-N
MW390.74 g/mol
LogP9.92
Rot. Bonds7

About methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen

methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen (PubChem CID 157183380) has the molecular formula C28H54 and a molecular weight of 390.74 g/mol. Its IUPAC name is methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen.

Molecular Properties

Compound Namemethane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
PubChem CID157183380
Molecular FormulaC28H54
Molecular Weight390.74 g/mol
Exact Mass390.42
IUPAC Namemethane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
SMILESC.C.CCCC1CCC(C2CCC(c3ccc(CC(C)CC)cc3)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C26H42.2CH4.2H2/c1-4-6-21-7-11-23(12-8-21)25-15-17-26(18-16-25)24-13-9-22(10-14-24)19-20(3)5-2;;;;/h9-10,13-14,20-21,23,25-26H,4-8,11-12,15-19H2,1-3H3;2*1H4;2*1H
InChIKeyAOVBLKZVDGGWQN-UHFFFAOYSA-N
XLogP9.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.74
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 160959856
N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine
CID 170248520
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane
CID 54334262
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
CID 19026680
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
CID 20539044
1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 21265136
1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
CID 20538885
pentafluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54147756

Frequently Asked Questions

What is the IUPAC name of methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?
The IUPAC name of methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen (CID 157183380) is methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen.
What is the SMILES notation for methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?
The canonical SMILES for methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen is C.C.CCCC1CCC(C2CCC(c3ccc(CC(C)CC)cc3)CC2)CC1.[H][H].[H][H].
What is the InChIKey of methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?
The InChIKey is AOVBLKZVDGGWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42.2CH4.2H2/c1-4-6-21-7-11-23(12-8-21)25-15-17-26(18-16-25)24-13-9-22(10-14-24)19-20(3)5-2;;;;/h9-10,13-14,20-21,23,25-26H,4-8,11-12,15-19H2,1-3H3;2*1H4;2*1H.
What are the key properties of methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?
methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen has a molecular weight of 390.74 g/mol, XLogP of 9.92, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(2-methylbutyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen is sourced from PubChem (CID 157183380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).