1-ethyl-4-methylidenecycloheptane

C10H18 — CID 65087805

IUPAC1-ethyl-4-methylidenecycloheptane
SMILESC=C1CCCC(CC)CC1
InChIInChI=1S/C10H18/c1-3-10-6-4-5-9(2)7-8-10/h10H,2-8H2,1H3
InChIKeyGMKCPEAJQLGMMW-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds1

About 1-ethyl-4-methylidenecycloheptane

1-ethyl-4-methylidenecycloheptane (PubChem CID 65087805) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-ethyl-4-methylidenecycloheptane.

Molecular Properties

Compound Name1-ethyl-4-methylidenecycloheptane
PubChem CID65087805
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-ethyl-4-methylidenecycloheptane
SMILESC=C1CCCC(CC)CC1
InChIInChI=1S/C10H18/c1-3-10-6-4-5-9(2)7-8-10/h10H,2-8H2,1H3
InChIKeyGMKCPEAJQLGMMW-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethylcycloheptan-1-one
CID 15698158
ethane;ethene;ethylcyclobutane
CID 164586585
ethylcyclopentane;methane
CID 143390575
tris(ethylcyclopentane);gadolinium
CID 160752471
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethane;bis(ethylcyclopentane)
CID 158911237
chromium;bis(ethylcyclopentane)
CID 91996240
2-(4-ethylcycloheptylidene)ethanamine
CID 77055408
4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine
CID 166981313
azane;1-methylidene-4-propylcyclohexane;molecular hydrogen
CID 145207106
ethylcyclopentane;methanamine
CID 142068671
ethylcyclobutane;methanamine
CID 175532329

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylidenecycloheptane?
The IUPAC name of 1-ethyl-4-methylidenecycloheptane (CID 65087805) is 1-ethyl-4-methylidenecycloheptane.
What is the SMILES notation for 1-ethyl-4-methylidenecycloheptane?
The canonical SMILES for 1-ethyl-4-methylidenecycloheptane is C=C1CCCC(CC)CC1.
What is the InChIKey of 1-ethyl-4-methylidenecycloheptane?
The InChIKey is GMKCPEAJQLGMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-10-6-4-5-9(2)7-8-10/h10H,2-8H2,1H3.
What are the key properties of 1-ethyl-4-methylidenecycloheptane?
1-ethyl-4-methylidenecycloheptane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylidenecycloheptane is sourced from PubChem (CID 65087805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).