1-ethyl-1-heptan-4-yl-2-methylcyclodecane

C20H40 — CID 123827321

IUPAC1-ethyl-1-heptan-4-yl-2-methylcyclodecane
SMILESCCCC(CCC)C1(CC)CCCCCCCCC1C
InChIInChI=1S/C20H40/c1-5-14-19(15-6-2)20(7-3)17-13-11-9-8-10-12-16-18(20)4/h18-19H,5-17H2,1-4H3
InChIKeyNZXZMGXGWUZXHB-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.37
Rot. Bonds6

About 1-ethyl-1-heptan-4-yl-2-methylcyclodecane

1-ethyl-1-heptan-4-yl-2-methylcyclodecane (PubChem CID 123827321) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-ethyl-1-heptan-4-yl-2-methylcyclodecane.

Molecular Properties

Compound Name1-ethyl-1-heptan-4-yl-2-methylcyclodecane
PubChem CID123827321
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1-ethyl-1-heptan-4-yl-2-methylcyclodecane
SMILESCCCC(CCC)C1(CC)CCCCCCCCC1C
InChIInChI=1S/C20H40/c1-5-14-19(15-6-2)20(7-3)17-13-11-9-8-10-12-16-18(20)4/h18-19H,5-17H2,1-4H3
InChIKeyNZXZMGXGWUZXHB-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-heptan-4-yl-2-methylcyclodecane?
The IUPAC name of 1-ethyl-1-heptan-4-yl-2-methylcyclodecane (CID 123827321) is 1-ethyl-1-heptan-4-yl-2-methylcyclodecane.
What is the SMILES notation for 1-ethyl-1-heptan-4-yl-2-methylcyclodecane?
The canonical SMILES for 1-ethyl-1-heptan-4-yl-2-methylcyclodecane is CCCC(CCC)C1(CC)CCCCCCCCC1C.
What is the InChIKey of 1-ethyl-1-heptan-4-yl-2-methylcyclodecane?
The InChIKey is NZXZMGXGWUZXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-5-14-19(15-6-2)20(7-3)17-13-11-9-8-10-12-16-18(20)4/h18-19H,5-17H2,1-4H3.
What are the key properties of 1-ethyl-1-heptan-4-yl-2-methylcyclodecane?
1-ethyl-1-heptan-4-yl-2-methylcyclodecane has a molecular weight of 280.54 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-heptan-4-yl-2-methylcyclodecane is sourced from PubChem (CID 123827321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).