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

2,2,4-Trimethylheptane
CID 26839
(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
2,2,4,6,6-Pentamethylheptane
CID 26058
2,2,8-Trimethyldecane
CID 522038
2,2,4,4,6,6,8-Heptamethylnonane
CID 27137
2,2,3-Trimethyldecane
CID 112483
3,3-Dimethyloctane
CID 138117
2,2,4,4,6-Pentamethylheptane
CID 112817
3,3,4-Trimethyldecane
CID 39499
2,2,4-Trimethyldecane
CID 545792
2,2,9-Trimethyldecane
CID 545800
Spiro[5.6]dodecane
CID 9097

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).