4-methyl-3,5,6-trimethylideneocta-1,7-diene

C12H16 — CID 59145882

IUPAC4-methyl-3,5,6-trimethylideneocta-1,7-diene
SMILESC=CC(=C)C(=C)C(C)C(=C)C=C
InChIInChI=1S/C12H16/c1-7-9(3)11(5)12(6)10(4)8-2/h7-8,12H,1-5H2,6H3
InChIKeyHHERITNSTQDWQI-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.66
Rot. Bonds5

About 4-methyl-3,5,6-trimethylideneocta-1,7-diene

4-methyl-3,5,6-trimethylideneocta-1,7-diene (PubChem CID 59145882) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-methyl-3,5,6-trimethylideneocta-1,7-diene.

Molecular Properties

Compound Name4-methyl-3,5,6-trimethylideneocta-1,7-diene
PubChem CID59145882
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name4-methyl-3,5,6-trimethylideneocta-1,7-diene
SMILESC=CC(=C)C(=C)C(C)C(=C)C=C
InChIInChI=1S/C12H16/c1-7-9(3)11(5)12(6)10(4)8-2/h7-8,12H,1-5H2,6H3
InChIKeyHHERITNSTQDWQI-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-methyl-3,5,6-trimethylideneocta-1,7-diene with MolForge

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

Launch Full Analysis

Related Compounds

ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene
CID 145476448
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
2-chloro-4-methylidenehex-5-en-3-one
CID 123798567
3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
CID 143522614
buta-1,3-diene;2-methylpropane
CID 161376198
N-but-3-en-2-ylhydroxylamine
CID 18467379
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
(2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine
CID 137457731
4,5-dimethylidenehepta-1,2,6-triene
CID 175499151
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
(2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine
CID 144645278
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5,6-trimethylideneocta-1,7-diene?
The IUPAC name of 4-methyl-3,5,6-trimethylideneocta-1,7-diene (CID 59145882) is 4-methyl-3,5,6-trimethylideneocta-1,7-diene.
What is the SMILES notation for 4-methyl-3,5,6-trimethylideneocta-1,7-diene?
The canonical SMILES for 4-methyl-3,5,6-trimethylideneocta-1,7-diene is C=CC(=C)C(=C)C(C)C(=C)C=C.
What is the InChIKey of 4-methyl-3,5,6-trimethylideneocta-1,7-diene?
The InChIKey is HHERITNSTQDWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-7-9(3)11(5)12(6)10(4)8-2/h7-8,12H,1-5H2,6H3.
What are the key properties of 4-methyl-3,5,6-trimethylideneocta-1,7-diene?
4-methyl-3,5,6-trimethylideneocta-1,7-diene has a molecular weight of 160.26 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5,6-trimethylideneocta-1,7-diene is sourced from PubChem (CID 59145882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).