1-hept-6-enylcyclohepta-1,3,5-triene

C14H20 — CID 144531199

IUPAC1-hept-6-enylcyclohepta-1,3,5-triene
SMILESC=CCCCCCC1=CC=CC=CC1
InChIInChI=1S/C14H20/c1-2-3-4-5-8-11-14-12-9-6-7-10-13-14/h2,6-7,9-10,12H,1,3-5,8,11,13H2
InChIKeyBOCFOCGWGVPZGQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.57
Rot. Bonds6

About 1-hept-6-enylcyclohepta-1,3,5-triene

1-hept-6-enylcyclohepta-1,3,5-triene (PubChem CID 144531199) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-hept-6-enylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1-hept-6-enylcyclohepta-1,3,5-triene
PubChem CID144531199
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-hept-6-enylcyclohepta-1,3,5-triene
SMILESC=CCCCCCC1=CC=CC=CC1
InChIInChI=1S/C14H20/c1-2-3-4-5-8-11-14-12-9-6-7-10-13-14/h2,6-7,9-10,12H,1,3-5,8,11,13H2
InChIKeyBOCFOCGWGVPZGQ-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.57
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 1-hept-6-enylcyclohepta-1,3,5-triene?
The IUPAC name of 1-hept-6-enylcyclohepta-1,3,5-triene (CID 144531199) is 1-hept-6-enylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1-hept-6-enylcyclohepta-1,3,5-triene?
The canonical SMILES for 1-hept-6-enylcyclohepta-1,3,5-triene is C=CCCCCCC1=CC=CC=CC1.
What is the InChIKey of 1-hept-6-enylcyclohepta-1,3,5-triene?
The InChIKey is BOCFOCGWGVPZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-2-3-4-5-8-11-14-12-9-6-7-10-13-14/h2,6-7,9-10,12H,1,3-5,8,11,13H2.
What are the key properties of 1-hept-6-enylcyclohepta-1,3,5-triene?
1-hept-6-enylcyclohepta-1,3,5-triene has a molecular weight of 188.31 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enylcyclohepta-1,3,5-triene is sourced from PubChem (CID 144531199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).