1,1-diethylcyclohexane;ethane

C12H26 — CID 142116480

IUPAC1,1-diethylcyclohexane;ethane
SMILESCC.CCC1(CC)CCCCC1
InChIInChI=1S/C10H20.C2H6/c1-3-10(4-2)8-6-5-7-9-10;1-2/h3-9H2,1-2H3;1-2H3
InChIKeySDWFHLAVWIAICZ-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.78
Rot. Bonds2

About 1,1-diethylcyclohexane;ethane

1,1-diethylcyclohexane;ethane (PubChem CID 142116480) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 1,1-diethylcyclohexane;ethane.

Molecular Properties

Compound Name1,1-diethylcyclohexane;ethane
PubChem CID142116480
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name1,1-diethylcyclohexane;ethane
SMILESCC.CCC1(CC)CCCCC1
InChIInChI=1S/C10H20.C2H6/c1-3-10(4-2)8-6-5-7-9-10;1-2/h3-9H2,1-2H3;1-2H3
InChIKeySDWFHLAVWIAICZ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethyl-1-(fluoromethyl)cyclohexane
CID 142943476
(1-ethylcycloheptyl)methanol
CID 56982411
(1-ethylcyclooctyl)methanamine
CID 80604065
1,1-diethylcyclopropane;ethane;propane
CID 162386463
2-(1-ethylcycloheptyl)ethanol
CID 164557788
2-(1-ethylcyclohexyl)-N,N-dimethylethanamine
CID 143122027
1-(1-ethylcyclohexyl)-N-methylmethanamine;formaldehyde
CID 143085262
1-ethyl-1-propylcyclobutane
CID 58586108
acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one
CID 143490396
1-butyl-1-(1-ethylcyclohexyl)cyclohexane
CID 173123724
1-ethyl-1-[(1-ethylcyclobutyl)methoxymethyl]cyclobutane
CID 59817053
[1-(1-ethylcyclopentyl)cyclopentyl]methanethiol
CID 91072791

Frequently Asked Questions

What is the IUPAC name of 1,1-diethylcyclohexane;ethane?
The IUPAC name of 1,1-diethylcyclohexane;ethane (CID 142116480) is 1,1-diethylcyclohexane;ethane.
What is the SMILES notation for 1,1-diethylcyclohexane;ethane?
The canonical SMILES for 1,1-diethylcyclohexane;ethane is CC.CCC1(CC)CCCCC1.
What is the InChIKey of 1,1-diethylcyclohexane;ethane?
The InChIKey is SDWFHLAVWIAICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C2H6/c1-3-10(4-2)8-6-5-7-9-10;1-2/h3-9H2,1-2H3;1-2H3.
What are the key properties of 1,1-diethylcyclohexane;ethane?
1,1-diethylcyclohexane;ethane has a molecular weight of 170.34 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylcyclohexane;ethane is sourced from PubChem (CID 142116480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).