4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene

C11H16 — CID 91526824

IUPAC4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene
SMILESCC1=CCC2(C)C(C)C2C=C1
InChIInChI=1S/C11H16/c1-8-4-5-10-9(2)11(10,3)7-6-8/h4-6,9-10H,7H2,1-3H3
InChIKeyWMBVMRLLYLTZMX-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.16
Rot. Bonds

About 4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene

4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene (PubChem CID 91526824) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene.

Molecular Properties

Compound Name4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene
PubChem CID91526824
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene
SMILESCC1=CCC2(C)C(C)C2C=C1
InChIInChI=1S/C11H16/c1-8-4-5-10-9(2)11(10,3)7-6-8/h4-6,9-10H,7H2,1-3H3
InChIKeyWMBVMRLLYLTZMX-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1,4-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141041567
(3S,4R,6R)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undeca-8,10-dien-3-ol
CID 15599842
strontium bis(1,4-dimethylcyclohexa-2,4-diene-1-sulfonate)
CID 139842170
5-iodo-2-methylcyclohexa-1,3-diene
CID 70252237
2,5-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 134426503
(5S)-2-methyl-5-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene
CID 162895919
N,N,4-trimethylcyclohexa-2,4-dien-1-amine
CID 89017646
2-methyl-5,5-bis(methylsulfanyl)cyclohexa-1,3-diene
CID 18710896
8-methylspiro[4.5]deca-7,9-diene
CID 123168387
[(1R)-4,7-dimethylcyclohepta-2,4-dien-1-yl]hydrazine
CID 163777490
2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 154528812
3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 154059355

Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene?
The IUPAC name of 4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene (CID 91526824) is 4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene.
What is the SMILES notation for 4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene?
The canonical SMILES for 4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene is CC1=CCC2(C)C(C)C2C=C1.
What is the InChIKey of 4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene?
The InChIKey is WMBVMRLLYLTZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-8-4-5-10-9(2)11(10,3)7-6-8/h4-6,9-10H,7H2,1-3H3.
What are the key properties of 4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene?
4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene has a molecular weight of 148.25 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-trimethylbicyclo[5.1.0]octa-2,4-diene is sourced from PubChem (CID 91526824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).