4-ethenylcyclohexene;hexa-1,5-diene

C14H22 — CID 18984285

IUPAC4-ethenylcyclohexene;hexa-1,5-diene
SMILESC=CC1CC=CCC1.C=CCCC=C
InChIInChI=1S/C8H12.C6H10/c1-2-8-6-4-3-5-7-8;1-3-5-6-4-2/h2-4,8H,1,5-7H2;3-4H,1-2,5-6H2
InChIKeyLDRTWOVQXDBRKX-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.67
Rot. Bonds4

About 4-ethenylcyclohexene;hexa-1,5-diene

4-ethenylcyclohexene;hexa-1,5-diene (PubChem CID 18984285) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4-ethenylcyclohexene;hexa-1,5-diene.

Molecular Properties

Compound Name4-ethenylcyclohexene;hexa-1,5-diene
PubChem CID18984285
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name4-ethenylcyclohexene;hexa-1,5-diene
SMILESC=CC1CC=CCC1.C=CCCC=C
InChIInChI=1S/C8H12.C6H10/c1-2-8-6-4-3-5-7-8;1-3-5-6-4-2/h2-4,8H,1,5-7H2;3-4H,1-2,5-6H2
InChIKeyLDRTWOVQXDBRKX-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylcyclohexene;hexa-1,5-diene?
The IUPAC name of 4-ethenylcyclohexene;hexa-1,5-diene (CID 18984285) is 4-ethenylcyclohexene;hexa-1,5-diene.
What is the SMILES notation for 4-ethenylcyclohexene;hexa-1,5-diene?
The canonical SMILES for 4-ethenylcyclohexene;hexa-1,5-diene is C=CC1CC=CCC1.C=CCCC=C.
What is the InChIKey of 4-ethenylcyclohexene;hexa-1,5-diene?
The InChIKey is LDRTWOVQXDBRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C6H10/c1-2-8-6-4-3-5-7-8;1-3-5-6-4-2/h2-4,8H,1,5-7H2;3-4H,1-2,5-6H2.
What are the key properties of 4-ethenylcyclohexene;hexa-1,5-diene?
4-ethenylcyclohexene;hexa-1,5-diene has a molecular weight of 190.33 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylcyclohexene;hexa-1,5-diene is sourced from PubChem (CID 18984285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).