1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane

C16H34 — CID 142876952

IUPAC1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane
SMILESCC.CCC1CC(C)C(C(C)C)CC1CC
InChIInChI=1S/C14H28.C2H6/c1-6-12-8-11(5)14(10(3)4)9-13(12)7-2;1-2/h10-14H,6-9H2,1-5H3;1-2H3
InChIKeyZZMNODLQAKLRBG-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds3

About 1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane

1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane (PubChem CID 142876952) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane.

Molecular Properties

Compound Name1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane
PubChem CID142876952
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane
SMILESCC.CCC1CC(C)C(C(C)C)CC1CC
InChIInChI=1S/C14H28.C2H6/c1-6-12-8-11(5)14(10(3)4)9-13(12)7-2;1-2/h10-14H,6-9H2,1-5H3;1-2H3
InChIKeyZZMNODLQAKLRBG-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane?
The IUPAC name of 1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane (CID 142876952) is 1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane.
What is the SMILES notation for 1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane?
The canonical SMILES for 1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane is CC.CCC1CC(C)C(C(C)C)CC1CC.
What is the InChIKey of 1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane?
The InChIKey is ZZMNODLQAKLRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.C2H6/c1-6-12-8-11(5)14(10(3)4)9-13(12)7-2;1-2/h10-14H,6-9H2,1-5H3;1-2H3.
What are the key properties of 1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane?
1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane is sourced from PubChem (CID 142876952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).