2,3,4,6-tetramethylhepta-1,3-diene

C11H20 — CID 90973069

IUPAC2,3,4,6-tetramethylhepta-1,3-diene
SMILESC=C(C)C(C)=C(C)CC(C)C
InChIInChI=1S/C11H20/c1-8(2)7-10(5)11(6)9(3)4/h8H,3,7H2,1-2,4-6H3
InChIKeyLRAMOSCGKDETCP-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds3

About 2,3,4,6-tetramethylhepta-1,3-diene

2,3,4,6-tetramethylhepta-1,3-diene (PubChem CID 90973069) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,3,4,6-tetramethylhepta-1,3-diene.

Molecular Properties

Compound Name2,3,4,6-tetramethylhepta-1,3-diene
PubChem CID90973069
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2,3,4,6-tetramethylhepta-1,3-diene
SMILESC=C(C)C(C)=C(C)CC(C)C
InChIInChI=1S/C11H20/c1-8(2)7-10(5)11(6)9(3)4/h8H,3,7H2,1-2,4-6H3
InChIKeyLRAMOSCGKDETCP-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

alpha-PHELLANDRENE
CID 7460
Gamma-Terpinene
CID 7461
Alpha-Terpinene
CID 7462
alpha-PHELLANDRENE, (-)-
CID 442482
Dihydromyrcene
CID 17090
(+)-alpha-Phellandrene
CID 443160
Dihydromyrcene, (+)-
CID 10887985
Isoterpinolene
CID 102443
Dihydromyrcene, (-)-
CID 10997105
Germacrene C
CID 25244915
2-Isopropyl-1,4-hexadiene
CID 6429324
5,7-Dimethylocta-1,6-diene
CID 280943

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetramethylhepta-1,3-diene?
The IUPAC name of 2,3,4,6-tetramethylhepta-1,3-diene (CID 90973069) is 2,3,4,6-tetramethylhepta-1,3-diene.
What is the SMILES notation for 2,3,4,6-tetramethylhepta-1,3-diene?
The canonical SMILES for 2,3,4,6-tetramethylhepta-1,3-diene is C=C(C)C(C)=C(C)CC(C)C.
What is the InChIKey of 2,3,4,6-tetramethylhepta-1,3-diene?
The InChIKey is LRAMOSCGKDETCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-8(2)7-10(5)11(6)9(3)4/h8H,3,7H2,1-2,4-6H3.
What are the key properties of 2,3,4,6-tetramethylhepta-1,3-diene?
2,3,4,6-tetramethylhepta-1,3-diene has a molecular weight of 152.28 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetramethylhepta-1,3-diene is sourced from PubChem (CID 90973069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).