1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane

C23H50 — CID 144926109

IUPAC1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane
SMILESCC.CCC1CCCC(CC(C)CCC(C)C)C1.CCCCC
InChIInChI=1S/C16H32.C5H12.C2H6/c1-5-15-7-6-8-16(12-15)11-14(4)10-9-13(2)3;1-3-5-4-2;1-2/h13-16H,5-12H2,1-4H3;3-5H2,1-2H3;1-2H3
InChIKeyRKOOXIZFLSNCMM-UHFFFAOYSA-N
MW326.65 g/mol
LogP8.89
Rot. Bonds8

About 1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane

1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane (PubChem CID 144926109) has the molecular formula C23H50 and a molecular weight of 326.65 g/mol. Its IUPAC name is 1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane.

Molecular Properties

Compound Name1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane
PubChem CID144926109
Molecular FormulaC23H50
Molecular Weight326.65 g/mol
Exact Mass326.39
IUPAC Name1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane
SMILESCC.CCC1CCCC(CC(C)CCC(C)C)C1.CCCCC
InChIInChI=1S/C16H32.C5H12.C2H6/c1-5-15-7-6-8-16(12-15)11-14(4)10-9-13(2)3;1-3-5-4-2;1-2/h13-16H,5-12H2,1-4H3;3-5H2,1-2H3;1-2H3
InChIKeyRKOOXIZFLSNCMM-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.65
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane 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

1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658
1,3-diethylcyclohexane;hexane;3-methylheptane
CID 164992405
1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane
CID 145356499
1-(2,5-dimethylhexyl)-4-methylcyclohexane
CID 90937103
1-ethyl-3-(2-methylpropyl)cyclobutane;1-ethyl-3-(2-methylpropyl)cycloheptane;1-ethyl-3-(2-methylpropyl)cyclohexane;1-ethyl-3-(2-methylpropyl)cyclopentane;1-methyl-3-(2-methylpropyl)cyclobutane;1-methyl-3-(2-methylpropyl)cycloheptane;1-methyl-3-(2-methylpropyl)cyclohexane;1-methyl-3-(2-methylpropyl)cyclopentane
CID 161373906
1,3-bis(2-methylpentyl)cyclobutane
CID 143683640
1,3-diethylcyclohexane;3,5-diethylcyclohexene;1-ethyl-4-methylcyclohexane;hexane;2-methylhexane;pentane
CID 158773132
1-(3-ethylcyclohexyl)butan-2-ol
CID 79424228
1-ethyl-3-propylcyclohexane
CID 22129036
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
3-(3-ethylcyclohexyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 64666288
ethane;ethylcyclobutane;3-ethylhexane
CID 143637843

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane?
The IUPAC name of 1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane (CID 144926109) is 1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane.
What is the SMILES notation for 1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane?
The canonical SMILES for 1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane is CC.CCC1CCCC(CC(C)CCC(C)C)C1.CCCCC.
What is the InChIKey of 1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane?
The InChIKey is RKOOXIZFLSNCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32.C5H12.C2H6/c1-5-15-7-6-8-16(12-15)11-14(4)10-9-13(2)3;1-3-5-4-2;1-2/h13-16H,5-12H2,1-4H3;3-5H2,1-2H3;1-2H3.
What are the key properties of 1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane?
1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane has a molecular weight of 326.65 g/mol, XLogP of 8.89, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane is sourced from PubChem (CID 144926109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).