1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane

C14H28 — CID 123952928

IUPAC1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane
SMILESCCC1CCC(CC(C)C)CCC1C
InChIInChI=1S/C14H28/c1-5-14-9-8-13(10-11(2)3)7-6-12(14)4/h11-14H,5-10H2,1-4H3
InChIKeyMWYADBUNFMDVBK-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds3

About 1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane

1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane (PubChem CID 123952928) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane.

Molecular Properties

Compound Name1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane
PubChem CID123952928
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane
SMILESCCC1CCC(CC(C)C)CCC1C
InChIInChI=1S/C14H28/c1-5-14-9-8-13(10-11(2)3)7-6-12(14)4/h11-14H,5-10H2,1-4H3
InChIKeyMWYADBUNFMDVBK-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
azane;ethane;1-ethyl-2-methylcyclobutane
CID 142223483
(1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane
CID 55253031
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
1-ethyl-2-methyl-4-propan-2-ylcyclohexane
CID 90923816
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
2-ethyl-4-(2-methylpropyl)cyclohexan-1-ol;2-ethyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 158656489
1-ethyl-2-[2-(2-ethylcyclopropyl)ethyl]cyclobutane;1,5,9,12,16,20,23,27,31-nonamethyl-3,7,14,18,25,29-hexakis(2-methylpropyl)cyclotritriacontane
CID 91210730
1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol
CID 143693119
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
3-ethyl-2-methyl-6-(2-methylpropyl)cyclohexan-1-ol
CID 91288894
(1R)-2-methyl-5-(2-methylpropyl)cyclopentan-1-amine
CID 163689367

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane?
The IUPAC name of 1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane (CID 123952928) is 1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane.
What is the SMILES notation for 1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane?
The canonical SMILES for 1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane is CCC1CCC(CC(C)C)CCC1C.
What is the InChIKey of 1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane?
The InChIKey is MWYADBUNFMDVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-14-9-8-13(10-11(2)3)7-6-12(14)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane?
1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane is sourced from PubChem (CID 123952928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).