1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane

C43H106 — CID 160789108

IUPAC1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CCC1CCC(CC2CCC(CC3CCC(CC4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H54.13CH4/c1-3-24-8-10-26(11-9-24)21-28-16-18-30(19-17-28)22-29-14-12-27(13-15-29)20-25-6-4-23(2)5-7-25;;;;;;;;;;;;;/h23-30H,3-22H2,1-2H3;13*1H4
InChIKeySBPKZEQPKCHVRI-UHFFFAOYSA-N
MW623.32 g/mol
LogP18.08
Rot. Bonds7

About 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane

1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane (PubChem CID 160789108) has the molecular formula C43H106 and a molecular weight of 623.32 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
PubChem CID160789108
Molecular FormulaC43H106
Molecular Weight623.32 g/mol
Exact Mass622.83
IUPAC Name1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CCC1CCC(CC2CCC(CC3CCC(CC4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H54.13CH4/c1-3-24-8-10-26(11-9-24)21-28-16-18-30(19-17-28)22-29-14-12-27(13-15-29)20-25-6-4-23(2)5-7-25;;;;;;;;;;;;;/h23-30H,3-22H2,1-2H3;13*1H4
InChIKeySBPKZEQPKCHVRI-UHFFFAOYSA-N
XLogP18.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.32
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane with MolForge

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Related Compounds

methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
CID 147298392
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
1-ethyl-4-methylcyclooctane;methane
CID 159989571
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997
1-ethyl-3-methylcyclopentane;methane
CID 144878558
1-ethyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 19984734
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane?
The IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane (CID 160789108) is 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane?
The canonical SMILES for 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.CCC1CCC(CC2CCC(CC3CCC(CC4CCC(C)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane?
The InChIKey is SBPKZEQPKCHVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54.13CH4/c1-3-24-8-10-26(11-9-24)21-28-16-18-30(19-17-28)22-29-14-12-27(13-15-29)20-25-6-4-23(2)5-7-25;;;;;;;;;;;;;/h23-30H,3-22H2,1-2H3;13*1H4.
What are the key properties of 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane?
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane has a molecular weight of 623.32 g/mol, XLogP of 18.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane is sourced from PubChem (CID 160789108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).