1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen

C27H58 — CID 160718193

IUPAC1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen
SMILESCC1CCC(C(C)(C)C2CCC(C)CC2)CC1.CCC1CCC(CC)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H32.C10H20.3H2/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-3-9-5-7-10(4-2)8-6-9;;;/h13-16H,5-12H2,1-4H3;9-10H,3-8H2,1-2H3;3*1H
InChIKeyRSTFINFEOCSXKA-UHFFFAOYSA-N
MW382.76 g/mol
LogP10.02
Rot. Bonds4

About 1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen

1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen (PubChem CID 160718193) has the molecular formula C27H58 and a molecular weight of 382.76 g/mol. Its IUPAC name is 1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen.

Molecular Properties

Compound Name1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen
PubChem CID160718193
Molecular FormulaC27H58
Molecular Weight382.76 g/mol
Exact Mass382.45
IUPAC Name1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen
SMILESCC1CCC(C(C)(C)C2CCC(C)CC2)CC1.CCC1CCC(CC)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H32.C10H20.3H2/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-3-9-5-7-10(4-2)8-6-9;;;/h13-16H,5-12H2,1-4H3;9-10H,3-8H2,1-2H3;3*1H
InChIKeyRSTFINFEOCSXKA-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.76
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen 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

1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898
1-ethyl-4-methylcyclooctane;methane
CID 159989571
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765549
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997
1-ethyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 19984734
carbanide;ethylcyclopentane;methylcyclopentane;ruthenium(2+)
CID 162292868

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen?
The IUPAC name of 1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen (CID 160718193) is 1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen.
What is the SMILES notation for 1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen?
The canonical SMILES for 1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen is CC1CCC(C(C)(C)C2CCC(C)CC2)CC1.CCC1CCC(CC)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of 1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen?
The InChIKey is RSTFINFEOCSXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32.C10H20.3H2/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-3-9-5-7-10(4-2)8-6-9;;;/h13-16H,5-12H2,1-4H3;9-10H,3-8H2,1-2H3;3*1H.
What are the key properties of 1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen?
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen has a molecular weight of 382.76 g/mol, XLogP of 10.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen is sourced from PubChem (CID 160718193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).