(5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene

C13H14 — CID 140580358

IUPAC(5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC1(C)C=CC=C1c1ccccc1
InChIInChI=1S/C13H14/c1-13(2)10-6-9-12(13)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKeyHCOHKYMBJPYYNT-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.67
Rot. Bonds1

About (5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene

(5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene (PubChem CID 140580358) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is (5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name(5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene
PubChem CID140580358
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name(5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene
SMILESCC1(C)C=CC=C1c1ccccc1
InChIInChI=1S/C13H14/c1-13(2)10-6-9-12(13)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKeyHCOHKYMBJPYYNT-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene
CID 154506078
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
2,2,3-triphenylpyran
CID 69120623
(5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene
CID 159527718
1-methyl-2-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 71317478
1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol
CID 145162638
(3aR,6aR)-3a,6a-dimethyl-3,6-diphenyl-1,4-dihydropentalene
CID 11837589
7-tert-butyl-7-methyl-3-phenylcyclohepta-1,3,5-triene
CID 143426144
5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
CID 150430637
6-phenylcyclohexa-3,5-diene-1,1,2-triol
CID 45092919
1-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699977
1-(methylamino)-2-phenylcyclohexa-2,4-dien-1-ol
CID 175545397

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of (5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene (CID 140580358) is (5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for (5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for (5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene is CC1(C)C=CC=C1c1ccccc1.
What is the InChIKey of (5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is HCOHKYMBJPYYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-13(2)10-6-9-12(13)11-7-4-3-5-8-11/h3-10H,1-2H3.
What are the key properties of (5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene?
(5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 170.25 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 140580358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).