1-cyclohexyl-2,3-diethylcyclohexane

C16H30 — CID 143331465

IUPAC1-cyclohexyl-2,3-diethylcyclohexane
SMILESCCC1CCCC(C2CCCCC2)C1CC
InChIInChI=1S/C16H30/c1-3-13-11-8-12-16(15(13)4-2)14-9-6-5-7-10-14/h13-16H,3-12H2,1-2H3
InChIKeyBGIYLLHKZRWVPR-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds3

About 1-cyclohexyl-2,3-diethylcyclohexane

1-cyclohexyl-2,3-diethylcyclohexane (PubChem CID 143331465) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-cyclohexyl-2,3-diethylcyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-2,3-diethylcyclohexane
PubChem CID143331465
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-cyclohexyl-2,3-diethylcyclohexane
SMILESCCC1CCCC(C2CCCCC2)C1CC
InChIInChI=1S/C16H30/c1-3-13-11-8-12-16(15(13)4-2)14-9-6-5-7-10-14/h13-16H,3-12H2,1-2H3
InChIKeyBGIYLLHKZRWVPR-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
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(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208
(1R,4aR,8aR)-1-[[(1S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97107678
bis(4-cyclohexyl-2-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,3-diethylcyclohexane?
The IUPAC name of 1-cyclohexyl-2,3-diethylcyclohexane (CID 143331465) is 1-cyclohexyl-2,3-diethylcyclohexane.
What is the SMILES notation for 1-cyclohexyl-2,3-diethylcyclohexane?
The canonical SMILES for 1-cyclohexyl-2,3-diethylcyclohexane is CCC1CCCC(C2CCCCC2)C1CC.
What is the InChIKey of 1-cyclohexyl-2,3-diethylcyclohexane?
The InChIKey is BGIYLLHKZRWVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-3-13-11-8-12-16(15(13)4-2)14-9-6-5-7-10-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-2,3-diethylcyclohexane?
1-cyclohexyl-2,3-diethylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,3-diethylcyclohexane is sourced from PubChem (CID 143331465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).