1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane

C17H26 — CID 134860197

IUPAC1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane
SMILESC=CC1CCCCC1CC/C=C1\CCCC1=C
InChIInChI=1S/C17H26/c1-3-15-9-4-5-10-17(15)13-7-12-16-11-6-8-14(16)2/h3,12,15,17H,1-2,4-11,13H2/b16-12+
InChIKeyDVKLWVLDLKPLHV-FOWTUZBSSA-N
MW230.39 g/mol
LogP5.43
Rot. Bonds4

About 1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane

1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane (PubChem CID 134860197) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane
PubChem CID134860197
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane
SMILESC=CC1CCCCC1CC/C=C1\CCCC1=C
InChIInChI=1S/C17H26/c1-3-15-9-4-5-10-17(15)13-7-12-16-11-6-8-14(16)2/h3,12,15,17H,1-2,4-11,13H2/b16-12+
InChIKeyDVKLWVLDLKPLHV-FOWTUZBSSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane?
The IUPAC name of 1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane (CID 134860197) is 1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane?
The canonical SMILES for 1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane is C=CC1CCCCC1CC/C=C1\CCCC1=C.
What is the InChIKey of 1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane?
The InChIKey is DVKLWVLDLKPLHV-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H26/c1-3-15-9-4-5-10-17(15)13-7-12-16-11-6-8-14(16)2/h3,12,15,17H,1-2,4-11,13H2/b16-12+.
What are the key properties of 1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane?
1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane has a molecular weight of 230.39 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane is sourced from PubChem (CID 134860197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).