1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane

C18H34 — CID 123275153

IUPAC1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane
SMILESCCC1CCCC(CC2(C)CCCCCC2)CC1
InChIInChI=1S/C18H34/c1-3-16-9-8-10-17(12-11-16)15-18(2)13-6-4-5-7-14-18/h16-17H,3-15H2,1-2H3
InChIKeyXVTSJAQKHJZOBU-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.34
Rot. Bonds3

About 1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane

1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane (PubChem CID 123275153) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane.

Molecular Properties

Compound Name1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane
PubChem CID123275153
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane
SMILESCCC1CCCC(CC2(C)CCCCCC2)CC1
InChIInChI=1S/C18H34/c1-3-16-9-8-10-17(12-11-16)15-18(2)13-6-4-5-7-14-18/h16-17H,3-15H2,1-2H3
InChIKeyXVTSJAQKHJZOBU-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;ethylcyclopentane;1-methyl-1-propylcyclohexane
CID 153335761
cyclopropane;ethylcyclobutane;propane
CID 142456817
1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane
CID 142366405
4-[(1-methylcyclopentyl)methyl]azepane
CID 130578718
ethylcyclooctane;fluoromethane
CID 174962953
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
CID 130602126
ethylcyclobutane;methanamine
CID 175532329
1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone
CID 130192513
ethane;ethene;ethylcyclobutane
CID 164586585
cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane
CID 158476891
chromium;bis(ethylcyclopentane)
CID 91996240

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane?
The IUPAC name of 1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane (CID 123275153) is 1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane.
What is the SMILES notation for 1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane?
The canonical SMILES for 1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane is CCC1CCCC(CC2(C)CCCCCC2)CC1.
What is the InChIKey of 1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane?
The InChIKey is XVTSJAQKHJZOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-3-16-9-8-10-17(12-11-16)15-18(2)13-6-4-5-7-14-18/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane?
1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane has a molecular weight of 250.47 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-methylcycloheptyl)methyl]cycloheptane is sourced from PubChem (CID 123275153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).