tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate

C170H356O12 — CID 161058057

IUPACtetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
SMILESCC1=CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.O.O.O.O.O.O.O.O.O.O.O.O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/4C20H36.C20H34.5C14H26.12H2O.12H2/c5*1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;5*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;;;;;;;;;;;;;;;;;;;;;;;;/h4*15-20H,3-14H2,1-2H3;3,16-20H,4-14H2,1-2H3;5*11-14H,3-10H2,1-2H3;12*1H2;12*1H
InChIKeyKXGUQUMNTFDFER-UHFFFAOYSA-N
MW2592.71 g/mol
LogP48.40
Rot. Bonds15

About tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate

tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate (PubChem CID 161058057) has the molecular formula C170H356O12 and a molecular weight of 2592.71 g/mol. Its IUPAC name is tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate.

Molecular Properties

Compound Nametetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
PubChem CID161058057
Molecular FormulaC170H356O12
Molecular Weight2592.71 g/mol
Exact Mass2590.72
IUPAC Nametetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
SMILESCC1=CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.O.O.O.O.O.O.O.O.O.O.O.O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/4C20H36.C20H34.5C14H26.12H2O.12H2/c5*1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;5*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;;;;;;;;;;;;;;;;;;;;;;;;/h4*15-20H,3-14H2,1-2H3;3,16-20H,4-14H2,1-2H3;5*11-14H,3-10H2,1-2H3;12*1H2;12*1H
InChIKeyKXGUQUMNTFDFER-UHFFFAOYSA-N
XLogP48.40
TPSA378.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002592.71
LogP ≤ 548.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane
CID 155378283
4-(4-methylcyclohexyl)cyclohexen-1-ol
CID 145005896
1,4-dimethyl(113C)cyclohexene
CID 11018826
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);molecular hydrogen;hydrate
CID 169425240
bis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2-fluoro-1,4-dimethylcyclohexane);molecular hydrogen;trihydrate
CID 160605414
2,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 176921529
2-[[5-(4-methylcyclohex-3-en-1-yl)oxan-2-yl]methyl]-5-[2-(4-methylcyclohexyl)ethyl]oxane
CID 163972403
[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid
CID 145005860
2-(4-methylcyclohex-3-en-1-yl)oxirane
CID 140666756
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
CID 142414461
1-methoxy-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexene;4-methyl-1-(4-methylcyclohexyl)cyclohexene
CID 167674656

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate?
The IUPAC name of tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate (CID 161058057) is tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate.
What is the SMILES notation for tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate?
The canonical SMILES for tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate is CC1=CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.O.O.O.O.O.O.O.O.O.O.O.O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate?
The InChIKey is KXGUQUMNTFDFER-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H36.C20H34.5C14H26.12H2O.12H2/c5*1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;5*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;;;;;;;;;;;;;;;;;;;;;;;;/h4*15-20H,3-14H2,1-2H3;3,16-20H,4-14H2,1-2H3;5*11-14H,3-10H2,1-2H3;12*1H2;12*1H.
What are the key properties of tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate?
tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate has a molecular weight of 2592.71 g/mol, XLogP of 48.40, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate is sourced from PubChem (CID 161058057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).