2,3-dimethyloctan-2-ylcyclohexane;ethane

C20H44 — CID 143333378

IUPAC2,3-dimethyloctan-2-ylcyclohexane;ethane
SMILESCC.CC.CCCCCC(C)C(C)(C)C1CCCCC1
InChIInChI=1S/C16H32.2C2H6/c1-5-6-8-11-14(2)16(3,4)15-12-9-7-10-13-15;2*1-2/h14-15H,5-13H2,1-4H3;2*1-2H3
InChIKeyFOONXRZZJAQXBN-UHFFFAOYSA-N
MW284.57 g/mol
LogP7.86
Rot. Bonds6

About 2,3-dimethyloctan-2-ylcyclohexane;ethane

2,3-dimethyloctan-2-ylcyclohexane;ethane (PubChem CID 143333378) has the molecular formula C20H44 and a molecular weight of 284.57 g/mol. Its IUPAC name is 2,3-dimethyloctan-2-ylcyclohexane;ethane.

Molecular Properties

Compound Name2,3-dimethyloctan-2-ylcyclohexane;ethane
PubChem CID143333378
Molecular FormulaC20H44
Molecular Weight284.57 g/mol
Exact Mass284.34
IUPAC Name2,3-dimethyloctan-2-ylcyclohexane;ethane
SMILESCC.CC.CCCCCC(C)C(C)(C)C1CCCCC1
InChIInChI=1S/C16H32.2C2H6/c1-5-6-8-11-14(2)16(3,4)15-12-9-7-10-13-15;2*1-2/h14-15H,5-13H2,1-4H3;2*1-2H3
InChIKeyFOONXRZZJAQXBN-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.57
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1,1-diethoxy-2-methyldecyl)cyclohexane
CID 151955749
(1,1-dicyclohexyl-2-methylhexyl)cyclohexane
CID 141441140
1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;undecakis(tert-butylcycloheptane);tetrakis(tert-butylcyclohexane);tert-butylcyclopentane;2,2,3-trimethyloctane
CID 160724082
N-heptan-2-ylcycloheptanamine
CID 43082272
ethane;1-methyl-4-(2-methyl-3-propyloctan-2-yl)cyclohexane
CID 143303479
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
2,2,3-trimethylundecane
CID 21285055
ethane;heptane;3,4,4-trimethyloctylcyclopentane
CID 142984263
1,1,2-tricyclohexyldodecylphosphane
CID 67839264
6-cyclohexylundecan-6-ylcyclohexane
CID 140522686

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyloctan-2-ylcyclohexane;ethane?
The IUPAC name of 2,3-dimethyloctan-2-ylcyclohexane;ethane (CID 143333378) is 2,3-dimethyloctan-2-ylcyclohexane;ethane.
What is the SMILES notation for 2,3-dimethyloctan-2-ylcyclohexane;ethane?
The canonical SMILES for 2,3-dimethyloctan-2-ylcyclohexane;ethane is CC.CC.CCCCCC(C)C(C)(C)C1CCCCC1.
What is the InChIKey of 2,3-dimethyloctan-2-ylcyclohexane;ethane?
The InChIKey is FOONXRZZJAQXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32.2C2H6/c1-5-6-8-11-14(2)16(3,4)15-12-9-7-10-13-15;2*1-2/h14-15H,5-13H2,1-4H3;2*1-2H3.
What are the key properties of 2,3-dimethyloctan-2-ylcyclohexane;ethane?
2,3-dimethyloctan-2-ylcyclohexane;ethane has a molecular weight of 284.57 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyloctan-2-ylcyclohexane;ethane is sourced from PubChem (CID 143333378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).