4-ethylideneheptylcyclopropane

C12H22 — CID 91074196

IUPAC4-ethylideneheptylcyclopropane
SMILESCC=C(CCC)CCCC1CC1
InChIInChI=1S/C12H22/c1-3-6-11(4-2)7-5-8-12-9-10-12/h4,12H,3,5-10H2,1-2H3
InChIKeyOELGZFDMTBHXKW-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds6

About 4-ethylideneheptylcyclopropane

4-ethylideneheptylcyclopropane (PubChem CID 91074196) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-ethylideneheptylcyclopropane.

Molecular Properties

Compound Name4-ethylideneheptylcyclopropane
PubChem CID91074196
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-ethylideneheptylcyclopropane
SMILESCC=C(CCC)CCCC1CC1
InChIInChI=1S/C12H22/c1-3-6-11(4-2)7-5-8-12-9-10-12/h4,12H,3,5-10H2,1-2H3
InChIKeyOELGZFDMTBHXKW-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.31
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

hexane;pentylcyclopropane
CID 159592467
1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 173281367
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
2-(4-butylcyclohexyl)ethanol
CID 15085164
azane;hexylcyclopropane
CID 135322230
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859
3-[(3E)-3-ethylideneheptyl]cyclopentene
CID 143683546
ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 145235002

Frequently Asked Questions

What is the IUPAC name of 4-ethylideneheptylcyclopropane?
The IUPAC name of 4-ethylideneheptylcyclopropane (CID 91074196) is 4-ethylideneheptylcyclopropane.
What is the SMILES notation for 4-ethylideneheptylcyclopropane?
The canonical SMILES for 4-ethylideneheptylcyclopropane is CC=C(CCC)CCCC1CC1.
What is the InChIKey of 4-ethylideneheptylcyclopropane?
The InChIKey is OELGZFDMTBHXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-6-11(4-2)7-5-8-12-9-10-12/h4,12H,3,5-10H2,1-2H3.
What are the key properties of 4-ethylideneheptylcyclopropane?
4-ethylideneheptylcyclopropane has a molecular weight of 166.31 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylideneheptylcyclopropane is sourced from PubChem (CID 91074196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).