1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene

C14H16 — CID 174023509

IUPAC1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene
SMILESCc1ccc(C2=CCCC=C2)c(C)c1
InChIInChI=1S/C14H16/c1-11-8-9-14(12(2)10-11)13-6-4-3-5-7-13/h4,6-10H,3,5H2,1-2H3
InChIKeyCRLSLBDRKGCKDP-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.04
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene

1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene (PubChem CID 174023509) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene
PubChem CID174023509
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene
SMILESCc1ccc(C2=CCCC=C2)c(C)c1
InChIInChI=1S/C14H16/c1-11-8-9-14(12(2)10-11)13-6-4-3-5-7-13/h4,6-10H,3,5H2,1-2H3
InChIKeyCRLSLBDRKGCKDP-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene (CID 174023509) is 1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene is Cc1ccc(C2=CCCC=C2)c(C)c1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene?
The InChIKey is CRLSLBDRKGCKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-11-8-9-14(12(2)10-11)13-6-4-3-5-7-13/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene?
1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene has a molecular weight of 184.28 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene is sourced from PubChem (CID 174023509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).