5-methylidenecyclohexa-1,3-diene;dihydrobromide

C7H10Br2 — CID 175171179

IUPAC5-methylidenecyclohexa-1,3-diene;dihydrobromide
SMILESBr.Br.C=C1C=CC=CC1
InChIInChI=1S/C7H8.2BrH/c1-7-5-3-2-4-6-7;;/h2-5H,1,6H2;2*1H
InChIKeyYDHOXQRIPMTXTR-UHFFFAOYSA-N
MW253.96 g/mol
LogP3.21
Rot. Bonds

About 5-methylidenecyclohexa-1,3-diene;dihydrobromide

5-methylidenecyclohexa-1,3-diene;dihydrobromide (PubChem CID 175171179) has the molecular formula C7H10Br2 and a molecular weight of 253.96 g/mol. Its IUPAC name is 5-methylidenecyclohexa-1,3-diene;dihydrobromide.

Molecular Properties

Compound Name5-methylidenecyclohexa-1,3-diene;dihydrobromide
PubChem CID175171179
Molecular FormulaC7H10Br2
Molecular Weight253.96 g/mol
Exact Mass251.91
IUPAC Name5-methylidenecyclohexa-1,3-diene;dihydrobromide
SMILESBr.Br.C=C1C=CC=CC1
InChIInChI=1S/C7H8.2BrH/c1-7-5-3-2-4-6-7;;/h2-5H,1,6H2;2*1H
InChIKeyYDHOXQRIPMTXTR-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.96
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methylidenecyclohexa-1,3-diene;dihydrobromide?
The IUPAC name of 5-methylidenecyclohexa-1,3-diene;dihydrobromide (CID 175171179) is 5-methylidenecyclohexa-1,3-diene;dihydrobromide.
What is the SMILES notation for 5-methylidenecyclohexa-1,3-diene;dihydrobromide?
The canonical SMILES for 5-methylidenecyclohexa-1,3-diene;dihydrobromide is Br.Br.C=C1C=CC=CC1.
What is the InChIKey of 5-methylidenecyclohexa-1,3-diene;dihydrobromide?
The InChIKey is YDHOXQRIPMTXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2BrH/c1-7-5-3-2-4-6-7;;/h2-5H,1,6H2;2*1H.
What are the key properties of 5-methylidenecyclohexa-1,3-diene;dihydrobromide?
5-methylidenecyclohexa-1,3-diene;dihydrobromide has a molecular weight of 253.96 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenecyclohexa-1,3-diene;dihydrobromide is sourced from PubChem (CID 175171179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).