1,3-diethyl-2,5-dimethylcycloheptane

C13H26 — CID 123338571

IUPAC1,3-diethyl-2,5-dimethylcycloheptane
SMILESCCC1CCC(C)CC(CC)C1C
InChIInChI=1S/C13H26/c1-5-12-8-7-10(3)9-13(6-2)11(12)4/h10-13H,5-9H2,1-4H3
InChIKeyLXNGHAMUGNGZCR-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds2

About 1,3-diethyl-2,5-dimethylcycloheptane

1,3-diethyl-2,5-dimethylcycloheptane (PubChem CID 123338571) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,3-diethyl-2,5-dimethylcycloheptane.

Molecular Properties

Compound Name1,3-diethyl-2,5-dimethylcycloheptane
PubChem CID123338571
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,3-diethyl-2,5-dimethylcycloheptane
SMILESCCC1CCC(C)CC(CC)C1C
InChIInChI=1S/C13H26/c1-5-12-8-7-10(3)9-13(6-2)11(12)4/h10-13H,5-9H2,1-4H3
InChIKeyLXNGHAMUGNGZCR-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-diethyl-2-methylcyclopentane
CID 123589151
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
butane;1-ethyl-2,3-dimethylcyclopentane
CID 144921835
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
(2-ethyl-5-methylcyclohexyl)methanediol
CID 123561469
1-chloro-3-ethyl-2,5-dimethylcyclohexane
CID 170272561
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
2-methyl-1,3-dipropylcyclopentane
CID 90887551
1,3,6-triethyl-2-methylcyclononane
CID 58552764
2,3,5-trimethyl-1-propylcycloheptane
CID 123381227
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2,5-dimethylcycloheptane?
The IUPAC name of 1,3-diethyl-2,5-dimethylcycloheptane (CID 123338571) is 1,3-diethyl-2,5-dimethylcycloheptane.
What is the SMILES notation for 1,3-diethyl-2,5-dimethylcycloheptane?
The canonical SMILES for 1,3-diethyl-2,5-dimethylcycloheptane is CCC1CCC(C)CC(CC)C1C.
What is the InChIKey of 1,3-diethyl-2,5-dimethylcycloheptane?
The InChIKey is LXNGHAMUGNGZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-12-8-7-10(3)9-13(6-2)11(12)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1,3-diethyl-2,5-dimethylcycloheptane?
1,3-diethyl-2,5-dimethylcycloheptane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2,5-dimethylcycloheptane is sourced from PubChem (CID 123338571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).