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

C14H16 — CID 159527718

IUPAC(5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene
SMILESCC1(C)C=CC=C1Cc1ccccc1
InChIInChI=1S/C14H16/c1-14(2)10-6-9-13(14)11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyWFAKQEOIFSJLHB-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.75
Rot. Bonds2

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

(5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene (PubChem CID 159527718) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is (5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene.

Molecular Properties

Compound Name(5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene
PubChem CID159527718
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name(5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene
SMILESCC1(C)C=CC=C1Cc1ccccc1
InChIInChI=1S/C14H16/c1-14(2)10-6-9-13(14)11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyWFAKQEOIFSJLHB-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 174271092
(5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene
CID 140580358
phenyl(113C)methylbenzene
CID 11194569
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
benzylbenzene;ethane;methanamine
CID 54117827
benzylbenzene;methoxymethane
CID 161110966
potassium;benzylbenzene;hydride
CID 173011788
5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol
CID 142633098
benzylbenzene;ethane;methoxymethane
CID 159187560
benzylcyclooctatetraene
CID 57201386
benzylbenzene;ethoxyethane
CID 69148831

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene?
The IUPAC name of (5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene (CID 159527718) is (5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene.
What is the SMILES notation for (5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene?
The canonical SMILES for (5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene is CC1(C)C=CC=C1Cc1ccccc1.
What is the InChIKey of (5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene?
The InChIKey is WFAKQEOIFSJLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-14(2)10-6-9-13(14)11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3.
What are the key properties of (5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene?
(5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene has a molecular weight of 184.28 g/mol, XLogP of 3.75, 2 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)methylbenzene is sourced from PubChem (CID 159527718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).