1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene

C14H16 — CID 123864976

IUPAC1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene
SMILESCC1=CCCC=C1c1ccccc1C
InChIInChI=1S/C14H16/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3,5,7-10H,4,6H2,1-2H3
InChIKeyNVEMAYNONKQZAJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.12
Rot. Bonds1

About 1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene

1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene (PubChem CID 123864976) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene
PubChem CID123864976
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene
SMILESCC1=CCCC=C1c1ccccc1C
InChIInChI=1S/C14H16/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3,5,7-10H,4,6H2,1-2H3
InChIKeyNVEMAYNONKQZAJ-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
7,9,9-trimethyl-6-(2-methylphenyl)-2,3-dihydrofluorene
CID 145017109
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
3,9-dihydro-2H-fluorene;ethane
CID 142275666
5-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrobenzo[b][1]benzoborole
CID 142355960
CID 23201540
CID 23201540
ethane;4-methyl-1,2-dihydronaphthalene
CID 91604572
6-methyl-5-(2-methylphenyl)-3,4-dihydropyridine
CID 57022563
2,3-dihydrophenanthrene-9,10-dione;ethane
CID 143477541
1,2-xylene
CID 173422016
5-(2-methylphenyl)-2,3-dihydro-1-benzoxepine-7-carboxylic acid
CID 58406996
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene?
The IUPAC name of 1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene (CID 123864976) is 1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene.
What is the SMILES notation for 1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene?
The canonical SMILES for 1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene is CC1=CCCC=C1c1ccccc1C.
What is the InChIKey of 1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene?
The InChIKey is NVEMAYNONKQZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3,5,7-10H,4,6H2,1-2H3.
What are the key properties of 1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene?
1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene has a molecular weight of 184.28 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene is sourced from PubChem (CID 123864976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).