1-ethyl-1,4-dimethylcycloheptane

C11H22 — CID 91266372

IUPAC1-ethyl-1,4-dimethylcycloheptane
SMILESCCC1(C)CCCC(C)CC1
InChIInChI=1S/C11H22/c1-4-11(3)8-5-6-10(2)7-9-11/h10H,4-9H2,1-3H3
InChIKeyXDJLJMLNIXRSTB-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds1

About 1-ethyl-1,4-dimethylcycloheptane

1-ethyl-1,4-dimethylcycloheptane (PubChem CID 91266372) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-ethyl-1,4-dimethylcycloheptane.

Molecular Properties

Compound Name1-ethyl-1,4-dimethylcycloheptane
PubChem CID91266372
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-ethyl-1,4-dimethylcycloheptane
SMILESCCC1(C)CCCC(C)CC1
InChIInChI=1S/C11H22/c1-4-11(3)8-5-6-10(2)7-9-11/h10H,4-9H2,1-3H3
InChIKeyXDJLJMLNIXRSTB-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
CID 91033875
CID 91033875
1,3,7-trimethyl-1-propylcyclononane
CID 123829205
1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane
CID 159398385
4-ethyl-4-methylcyclohexane-1-thiol
CID 148627567
1,1-dimethylcyclopropane;1-ethyl-1-methylcyclopropane
CID 143562468
1-ethyl-1-methylcyclohexane;molecular hydrogen
CID 143091347
1,4-dimethylcycloheptan-1-amine
CID 65080006
1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
CID 124509461
1-ethyl-4-methyl-1-[(Z)-prop-1-enyl]cycloheptane
CID 142208127
1-ethyl-4-methylcycloheptane-1-carboxylic acid
CID 89094333

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,4-dimethylcycloheptane?
The IUPAC name of 1-ethyl-1,4-dimethylcycloheptane (CID 91266372) is 1-ethyl-1,4-dimethylcycloheptane.
What is the SMILES notation for 1-ethyl-1,4-dimethylcycloheptane?
The canonical SMILES for 1-ethyl-1,4-dimethylcycloheptane is CCC1(C)CCCC(C)CC1.
What is the InChIKey of 1-ethyl-1,4-dimethylcycloheptane?
The InChIKey is XDJLJMLNIXRSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-11(3)8-5-6-10(2)7-9-11/h10H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-1,4-dimethylcycloheptane?
1-ethyl-1,4-dimethylcycloheptane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,4-dimethylcycloheptane is sourced from PubChem (CID 91266372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).