6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene

C11H12Br2 — CID 89018164

IUPAC6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene
SMILESC=C1CCC2C=C(Br)C(Br)=CC2C1
InChIInChI=1S/C11H12Br2/c1-7-2-3-8-5-10(12)11(13)6-9(8)4-7/h5-6,8-9H,1-4H2
InChIKeyZUPKZZRFNDGFJO-UHFFFAOYSA-N
MW304.03 g/mol
LogP4.53
Rot. Bonds

About 6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene

6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene (PubChem CID 89018164) has the molecular formula C11H12Br2 and a molecular weight of 304.03 g/mol. Its IUPAC name is 6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene
PubChem CID89018164
Molecular FormulaC11H12Br2
Molecular Weight304.03 g/mol
Exact Mass301.93
IUPAC Name6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene
SMILESC=C1CCC2C=C(Br)C(Br)=CC2C1
InChIInChI=1S/C11H12Br2/c1-7-2-3-8-5-10(12)11(13)6-9(8)4-7/h5-6,8-9H,1-4H2
InChIKeyZUPKZZRFNDGFJO-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.03
LogP ≤ 54.53
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 6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene?
The IUPAC name of 6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene (CID 89018164) is 6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene.
What is the SMILES notation for 6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene?
The canonical SMILES for 6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene is C=C1CCC2C=C(Br)C(Br)=CC2C1.
What is the InChIKey of 6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene?
The InChIKey is ZUPKZZRFNDGFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2/c1-7-2-3-8-5-10(12)11(13)6-9(8)4-7/h5-6,8-9H,1-4H2.
What are the key properties of 6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene?
6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene has a molecular weight of 304.03 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene is sourced from PubChem (CID 89018164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).