2-bromo-5,5-dimethylcyclopenta-1,3-diene

C7H9Br — CID 10844938

IUPAC2-bromo-5,5-dimethylcyclopenta-1,3-diene
SMILESCC1(C)C=CC(Br)=C1
InChIInChI=1S/C7H9Br/c1-7(2)4-3-6(8)5-7/h3-5H,1-2H3
InChIKeyNWYLVVVVPMXHQL-UHFFFAOYSA-N
MW173.05 g/mol
LogP2.86
Rot. Bonds

About 2-bromo-5,5-dimethylcyclopenta-1,3-diene

2-bromo-5,5-dimethylcyclopenta-1,3-diene (PubChem CID 10844938) has the molecular formula C7H9Br and a molecular weight of 173.05 g/mol. Its IUPAC name is 2-bromo-5,5-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-bromo-5,5-dimethylcyclopenta-1,3-diene
PubChem CID10844938
Molecular FormulaC7H9Br
Molecular Weight173.05 g/mol
Exact Mass171.99
IUPAC Name2-bromo-5,5-dimethylcyclopenta-1,3-diene
SMILESCC1(C)C=CC(Br)=C1
InChIInChI=1S/C7H9Br/c1-7(2)4-3-6(8)5-7/h3-5H,1-2H3
InChIKeyNWYLVVVVPMXHQL-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.05
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572140
2-bromo-5,5-dimethylcyclohexa-1,3-diene
CID 101127342
1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene
CID 13425711
trimethyl-[(1E,4Z,7Z)-3,3,6,6-tetramethylcycloocta-1,4,7-trien-1-yl]silane
CID 5366639
2-bromo-5-chloro-5-methylcyclohexa-1,3-diene
CID 139970109
2,4-ditert-butyl-7,7-dimethylcyclohepta-1,3,5-triene
CID 546588
(3,3,6,7-tetramethylcyclohepta-1,4,6-trien-1-yl)oxymethanol
CID 155712085
8-bromo-6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one
CID 11347722
3,3,6,6-tetramethylcycloocta-1,4,7-triene-1-sulfonamide
CID 123992831
3,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130311423
(5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid
CID 164897858
6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione
CID 142049970

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,5-dimethylcyclopenta-1,3-diene?
The IUPAC name of 2-bromo-5,5-dimethylcyclopenta-1,3-diene (CID 10844938) is 2-bromo-5,5-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 2-bromo-5,5-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 2-bromo-5,5-dimethylcyclopenta-1,3-diene is CC1(C)C=CC(Br)=C1.
What is the InChIKey of 2-bromo-5,5-dimethylcyclopenta-1,3-diene?
The InChIKey is NWYLVVVVPMXHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br/c1-7(2)4-3-6(8)5-7/h3-5H,1-2H3.
What are the key properties of 2-bromo-5,5-dimethylcyclopenta-1,3-diene?
2-bromo-5,5-dimethylcyclopenta-1,3-diene has a molecular weight of 173.05 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,5-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 10844938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).