heptalene

C12H10 — CID 5460725

IUPACheptalene
SMILESC1=CC=C2C=CC=CC=C2C=C1
InChIInChI=1S/C12H10/c1-3-7-11-9-5-2-6-10-12(11)8-4-1/h1-10H
InChIKeyDDTGNKBZWQHIEH-UHFFFAOYSA-N
MW154.21 g/mol
LogP3.09
Rot. Bonds

About heptalene

heptalene (PubChem CID 5460725) has the molecular formula C12H10 and a molecular weight of 154.21 g/mol. Its IUPAC name is heptalene.

Molecular Properties

Compound Nameheptalene
PubChem CID5460725
Molecular FormulaC12H10
Molecular Weight154.21 g/mol
Exact Mass154.08
IUPAC Nameheptalene
SMILESC1=CC=C2C=CC=CC=C2C=C1
InChIInChI=1S/C12H10/c1-3-7-11-9-5-2-6-10-12(11)8-4-1/h1-10H
InChIKeyDDTGNKBZWQHIEH-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of heptalene?
The IUPAC name of heptalene (CID 5460725) is heptalene.
What is the SMILES notation for heptalene?
The canonical SMILES for heptalene is C1=CC=C2C=CC=CC=C2C=C1.
What is the InChIKey of heptalene?
The InChIKey is DDTGNKBZWQHIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10/c1-3-7-11-9-5-2-6-10-12(11)8-4-1/h1-10H.
What are the key properties of heptalene?
heptalene has a molecular weight of 154.21 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptalene is sourced from PubChem (CID 5460725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).