6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene

C12H16 — CID 90791586

IUPAC6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene
SMILESC=c1cccc(C)c1=CCCC
InChIInChI=1S/C12H16/c1-4-5-9-12-10(2)7-6-8-11(12)3/h6-9H,2,4-5H2,1,3H3
InChIKeyDGNPPTRVJRWGGU-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.99
Rot. Bonds2

About 6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene

6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene (PubChem CID 90791586) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene
PubChem CID90791586
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene
SMILESC=c1cccc(C)c1=CCCC
InChIInChI=1S/C12H16/c1-4-5-9-12-10(2)7-6-8-11(12)3/h6-9H,2,4-5H2,1,3H3
InChIKeyDGNPPTRVJRWGGU-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene?
The IUPAC name of 6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene (CID 90791586) is 6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene is C=c1cccc(C)c1=CCCC.
What is the InChIKey of 6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene?
The InChIKey is DGNPPTRVJRWGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-4-5-9-12-10(2)7-6-8-11(12)3/h6-9H,2,4-5H2,1,3H3.
What are the key properties of 6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene?
6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene has a molecular weight of 160.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylidene-1-methyl-5-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 90791586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).