6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene

C12H16 — CID 142973100

IUPAC6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene
SMILESC=CC1C=CC2=C(CCCC2)C1
InChIInChI=1S/C12H16/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2,7-8,10H,1,3-6,9H2
InChIKeyUPYZFKOYBKPZKV-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.62
Rot. Bonds1

About 6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene

6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene (PubChem CID 142973100) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene.

Molecular Properties

Compound Name6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene
PubChem CID142973100
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene
SMILESC=CC1C=CC2=C(CCCC2)C1
InChIInChI=1S/C12H16/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2,7-8,10H,1,3-6,9H2
InChIKeyUPYZFKOYBKPZKV-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.62
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 6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene?
The IUPAC name of 6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene (CID 142973100) is 6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene.
What is the SMILES notation for 6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene?
The canonical SMILES for 6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene is C=CC1C=CC2=C(CCCC2)C1.
What is the InChIKey of 6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene?
The InChIKey is UPYZFKOYBKPZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2,7-8,10H,1,3-6,9H2.
What are the key properties of 6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene?
6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene has a molecular weight of 160.26 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1,2,3,4,5,6-hexahydronaphthalene is sourced from PubChem (CID 142973100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).