5-ethyl-1-methyl-2-propan-2-ylcycloheptane

C13H26 — CID 123365042

IUPAC5-ethyl-1-methyl-2-propan-2-ylcycloheptane
SMILESCCC1CCC(C)C(C(C)C)CC1
InChIInChI=1S/C13H26/c1-5-12-7-6-11(4)13(9-8-12)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyKQVICCNLGZPCMV-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds2

About 5-ethyl-1-methyl-2-propan-2-ylcycloheptane

5-ethyl-1-methyl-2-propan-2-ylcycloheptane (PubChem CID 123365042) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2-propan-2-ylcycloheptane.

Molecular Properties

Compound Name5-ethyl-1-methyl-2-propan-2-ylcycloheptane
PubChem CID123365042
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name5-ethyl-1-methyl-2-propan-2-ylcycloheptane
SMILESCCC1CCC(C)C(C(C)C)CC1
InChIInChI=1S/C13H26/c1-5-12-7-6-11(4)13(9-8-12)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyKQVICCNLGZPCMV-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

(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane
CID 143344984
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
(1R)-N-ethyl-1-[(1S,2R)-2-methylcyclobutyl]ethanamine
CID 70296617
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438
(1R,3R,4R)-3-methyl-4-propan-2-ylcyclohexan-1-amine
CID 153443781
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine
CID 138738312

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-2-propan-2-ylcycloheptane?
The IUPAC name of 5-ethyl-1-methyl-2-propan-2-ylcycloheptane (CID 123365042) is 5-ethyl-1-methyl-2-propan-2-ylcycloheptane.
What is the SMILES notation for 5-ethyl-1-methyl-2-propan-2-ylcycloheptane?
The canonical SMILES for 5-ethyl-1-methyl-2-propan-2-ylcycloheptane is CCC1CCC(C)C(C(C)C)CC1.
What is the InChIKey of 5-ethyl-1-methyl-2-propan-2-ylcycloheptane?
The InChIKey is KQVICCNLGZPCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-12-7-6-11(4)13(9-8-12)10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-1-methyl-2-propan-2-ylcycloheptane?
5-ethyl-1-methyl-2-propan-2-ylcycloheptane 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 5-ethyl-1-methyl-2-propan-2-ylcycloheptane is sourced from PubChem (CID 123365042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).