1-ethyl-2-pentan-2-ylcycloheptane

C14H28 — CID 123744676

IUPAC1-ethyl-2-pentan-2-ylcycloheptane
SMILESCCCC(C)C1CCCCCC1CC
InChIInChI=1S/C14H28/c1-4-9-12(3)14-11-8-6-7-10-13(14)5-2/h12-14H,4-11H2,1-3H3
InChIKeyUUSFLFGKPAEYME-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.03
Rot. Bonds4

About 1-ethyl-2-pentan-2-ylcycloheptane

1-ethyl-2-pentan-2-ylcycloheptane (PubChem CID 123744676) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-ethyl-2-pentan-2-ylcycloheptane.

Molecular Properties

Compound Name1-ethyl-2-pentan-2-ylcycloheptane
PubChem CID123744676
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-ethyl-2-pentan-2-ylcycloheptane
SMILESCCCC(C)C1CCCCCC1CC
InChIInChI=1S/C14H28/c1-4-9-12(3)14-11-8-6-7-10-13(14)5-2/h12-14H,4-11H2,1-3H3
InChIKeyUUSFLFGKPAEYME-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
3-(2-ethylcyclohexyl)-N-methylbutan-1-amine
CID 81012957
1-(2-ethylcyclohexyl)-2-methylpentan-1-ol
CID 63899778
1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
1-bromo-2-pentan-2-ylcycloheptane
CID 107886723
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
1-(2-ethylcyclohexyl)-N-methylhexan-1-amine
CID 115862819
1-(2-ethylcyclohexyl)heptan-1-amine
CID 115862692
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-pentan-2-ylcycloheptane?
The IUPAC name of 1-ethyl-2-pentan-2-ylcycloheptane (CID 123744676) is 1-ethyl-2-pentan-2-ylcycloheptane.
What is the SMILES notation for 1-ethyl-2-pentan-2-ylcycloheptane?
The canonical SMILES for 1-ethyl-2-pentan-2-ylcycloheptane is CCCC(C)C1CCCCCC1CC.
What is the InChIKey of 1-ethyl-2-pentan-2-ylcycloheptane?
The InChIKey is UUSFLFGKPAEYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-9-12(3)14-11-8-6-7-10-13(14)5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-2-pentan-2-ylcycloheptane?
1-ethyl-2-pentan-2-ylcycloheptane has a molecular weight of 196.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-pentan-2-ylcycloheptane is sourced from PubChem (CID 123744676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).