1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene

C14H16 — CID 15493112

IUPAC1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CC2C=CC=C2)c1
InChIInChI=1S/C14H16/c1-11-7-12(2)9-14(8-11)10-13-5-3-4-6-13/h3-9,13H,10H2,1-2H3
InChIKeyMRUIPUBMRJUNJI-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.59
Rot. Bonds2

About 1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene

1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene (PubChem CID 15493112) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene
PubChem CID15493112
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CC2C=CC=C2)c1
InChIInChI=1S/C14H16/c1-11-7-12(2)9-14(8-11)10-13-5-3-4-6-13/h3-9,13H,10H2,1-2H3
InChIKeyMRUIPUBMRJUNJI-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81013130
carbanide;bis(1-(cyclopentylmethyl)-3,5-dimethylbenzene);dichlorozirconium(2+)
CID 162285999
1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
CID 22920116
1-(chloromethyl)-3,5-dimethylbenzene;silane
CID 160884326
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
2-[(3,5-dimethylphenyl)methyl]-6-ethyl-3,4,5-trimethyloxane
CID 21362325
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600
4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine
CID 106777878
1-[(3-bromocyclohexyl)methyl]-3,5-dimethylbenzene
CID 64507597
di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane
CID 101234182

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene?
The IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene (CID 15493112) is 1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene.
What is the SMILES notation for 1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene?
The canonical SMILES for 1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene is Cc1cc(C)cc(CC2C=CC=C2)c1.
What is the InChIKey of 1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene?
The InChIKey is MRUIPUBMRJUNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-11-7-12(2)9-14(8-11)10-13-5-3-4-6-13/h3-9,13H,10H2,1-2H3.
What are the key properties of 1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene?
1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene has a molecular weight of 184.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-2,4-dien-1-ylmethyl)-3,5-dimethylbenzene is sourced from PubChem (CID 15493112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).