1,6-dimethylcyclohexa-1,3-diene

C8H12 — CID 12599190

IUPAC1,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CC=CCC1C
InChIInChI=1S/C8H12/c1-7-5-3-4-6-8(7)2/h3-5,8H,6H2,1-2H3
InChIKeyLHNLHNXVJMSGDW-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.53
Rot. Bonds

About 1,6-dimethylcyclohexa-1,3-diene

1,6-dimethylcyclohexa-1,3-diene (PubChem CID 12599190) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,6-dimethylcyclohexa-1,3-diene
PubChem CID12599190
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CC=CCC1C
InChIInChI=1S/C8H12/c1-7-5-3-4-6-8(7)2/h3-5,8H,6H2,1-2H3
InChIKeyLHNLHNXVJMSGDW-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

alpha-PHELLANDRENE
CID 7460
alpha-PHELLANDRENE, (-)-
CID 442482
(+)-alpha-Phellandrene
CID 443160
1-Methylcyclohexa-1,3-diene
CID 121731
Isoterpinolene
CID 102443
1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
CID 10581
(-)-Zingiberene
CID 92776
p-Mentha-2,4-diene
CID 6428962
Alpha-Zingiberene
CID 11127403
2-Methyl-5-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene
CID 521253
beta-Pyronene
CID 228342
7-Epizingiberene
CID 21729595

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1,6-dimethylcyclohexa-1,3-diene (CID 12599190) is 1,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1,6-dimethylcyclohexa-1,3-diene is CC1=CC=CCC1C.
What is the InChIKey of 1,6-dimethylcyclohexa-1,3-diene?
The InChIKey is LHNLHNXVJMSGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-7-5-3-4-6-8(7)2/h3-5,8H,6H2,1-2H3.
What are the key properties of 1,6-dimethylcyclohexa-1,3-diene?
1,6-dimethylcyclohexa-1,3-diene has a molecular weight of 108.18 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 12599190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).