1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane

C16H32 — CID 142995371

IUPAC1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
SMILESCCC1CCC(C(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C16H32/c1-7-13-8-10-14(11-9-13)16(5,6)12-15(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyHYCZQYUTQHBOOI-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds3

About 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane

1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane (PubChem CID 142995371) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
PubChem CID142995371
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
SMILESCCC1CCC(C(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C16H32/c1-7-13-8-10-14(11-9-13)16(5,6)12-15(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyHYCZQYUTQHBOOI-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane?
The IUPAC name of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane (CID 142995371) is 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane.
What is the SMILES notation for 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane?
The canonical SMILES for 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane is CCC1CCC(C(C)(C)CC(C)(C)C)CC1.
What is the InChIKey of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane?
The InChIKey is HYCZQYUTQHBOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-7-13-8-10-14(11-9-13)16(5,6)12-15(2,3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane?
1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane is sourced from PubChem (CID 142995371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).