2,3,4,7-tetramethylocta-1,5-diene

C12H22 — CID 90685046

IUPAC2,3,4,7-tetramethylocta-1,5-diene
SMILESC=C(C)C(C)C(C)C=CC(C)C
InChIInChI=1S/C12H22/c1-9(2)7-8-11(5)12(6)10(3)4/h7-9,11-12H,3H2,1-2,4-6H3
InChIKeyOHGYVDMYQZOOSA-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.05
Rot. Bonds4

About 2,3,4,7-tetramethylocta-1,5-diene

2,3,4,7-tetramethylocta-1,5-diene (PubChem CID 90685046) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2,3,4,7-tetramethylocta-1,5-diene.

Molecular Properties

Compound Name2,3,4,7-tetramethylocta-1,5-diene
PubChem CID90685046
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2,3,4,7-tetramethylocta-1,5-diene
SMILESC=C(C)C(C)C(C)C=CC(C)C
InChIInChI=1S/C12H22/c1-9(2)7-8-11(5)12(6)10(3)4/h7-9,11-12H,3H2,1-2,4-6H3
InChIKeyOHGYVDMYQZOOSA-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,4,7-tetramethylocta-1,5-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

(Z,5R)-2,5,6-trimethylhept-3-ene
CID 155647530
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
CID 123438573
CID 123438573
4,4-dichloro-2,3-dimethylbut-1-ene
CID 142049943
(3R,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979803
3,4,5-trimethylhex-5-en-2-one
CID 123545933
(3S,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979804
(E)-5-methylhex-3-en-2-ol
CID 11251985
(Z,2R)-5-methylhex-3-en-2-ol
CID 89011913
(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol
CID 11007995
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479

Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetramethylocta-1,5-diene?
The IUPAC name of 2,3,4,7-tetramethylocta-1,5-diene (CID 90685046) is 2,3,4,7-tetramethylocta-1,5-diene.
What is the SMILES notation for 2,3,4,7-tetramethylocta-1,5-diene?
The canonical SMILES for 2,3,4,7-tetramethylocta-1,5-diene is C=C(C)C(C)C(C)C=CC(C)C.
What is the InChIKey of 2,3,4,7-tetramethylocta-1,5-diene?
The InChIKey is OHGYVDMYQZOOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9(2)7-8-11(5)12(6)10(3)4/h7-9,11-12H,3H2,1-2,4-6H3.
What are the key properties of 2,3,4,7-tetramethylocta-1,5-diene?
2,3,4,7-tetramethylocta-1,5-diene has a molecular weight of 166.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetramethylocta-1,5-diene is sourced from PubChem (CID 90685046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).