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

C14H16 — CID 173472897

IUPAC4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene
SMILESCc1ccc(CC2=CCC=C2)cc1C
InChIInChI=1S/C14H16/c1-11-7-8-14(9-12(11)2)10-13-5-3-4-6-13/h3,5-9H,4,10H2,1-2H3
InChIKeyOWPPYDCGMXSLFQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.73
Rot. Bonds2

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

4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene (PubChem CID 173472897) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene
PubChem CID173472897
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene
SMILESCc1ccc(CC2=CCC=C2)cc1C
InChIInChI=1S/C14H16/c1-11-7-8-14(9-12(11)2)10-13-5-3-4-6-13/h3,5-9H,4,10H2,1-2H3
InChIKeyOWPPYDCGMXSLFQ-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene (CID 173472897) is 4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene is Cc1ccc(CC2=CCC=C2)cc1C.
What is the InChIKey of 4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene?
The InChIKey is OWPPYDCGMXSLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-11-7-8-14(9-12(11)2)10-13-5-3-4-6-13/h3,5-9H,4,10H2,1-2H3.
What are the key properties of 4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene?
4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene has a molecular weight of 184.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene is sourced from PubChem (CID 173472897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).