ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane

C16H36 — CID 176966698

IUPACethane;3-ethyl-1,1,2-trimethylcyclohexane;propane
SMILESCC.CCC.CCC1CCCC(C)(C)C1C
InChIInChI=1S/C11H22.C3H8.C2H6/c1-5-10-7-6-8-11(3,4)9(10)2;1-3-2;1-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyWYJNPBAQCCVPAL-UHFFFAOYSA-N
MW228.46 g/mol
LogP6.30
Rot. Bonds1

About ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane

ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane (PubChem CID 176966698) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane.

Molecular Properties

Compound Nameethane;3-ethyl-1,1,2-trimethylcyclohexane;propane
PubChem CID176966698
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Nameethane;3-ethyl-1,1,2-trimethylcyclohexane;propane
SMILESCC.CCC.CCC1CCCC(C)(C)C1C
InChIInChI=1S/C11H22.C3H8.C2H6/c1-5-10-7-6-8-11(3,4)9(10)2;1-3-2;1-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyWYJNPBAQCCVPAL-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane?
The IUPAC name of ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane (CID 176966698) is ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane.
What is the SMILES notation for ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane?
The canonical SMILES for ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane is CC.CCC.CCC1CCCC(C)(C)C1C.
What is the InChIKey of ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane?
The InChIKey is WYJNPBAQCCVPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C3H8.C2H6/c1-5-10-7-6-8-11(3,4)9(10)2;1-3-2;1-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane?
ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane has a molecular weight of 228.46 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane is sourced from PubChem (CID 176966698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).