(5E)-2,6,7,7-tetramethylocta-2,5-diene

C12H22 — CID 12510896

IUPAC(5E)-2,6,7,7-tetramethylocta-2,5-diene
SMILESCC(C)=CC/C=C(\C)C(C)(C)C
InChIInChI=1S/C12H22/c1-10(2)8-7-9-11(3)12(4,5)6/h8-9H,7H2,1-6H3/b11-9+
InChIKeyDCRXNQRLXFSWMO-PKNBQFBNSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds2

About (5E)-2,6,7,7-tetramethylocta-2,5-diene

(5E)-2,6,7,7-tetramethylocta-2,5-diene (PubChem CID 12510896) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (5E)-2,6,7,7-tetramethylocta-2,5-diene.

Molecular Properties

Compound Name(5E)-2,6,7,7-tetramethylocta-2,5-diene
PubChem CID12510896
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(5E)-2,6,7,7-tetramethylocta-2,5-diene
SMILESCC(C)=CC/C=C(\C)C(C)(C)C
InChIInChI=1S/C12H22/c1-10(2)8-7-9-11(3)12(4,5)6/h8-9H,7H2,1-6H3/b11-9+
InChIKeyDCRXNQRLXFSWMO-PKNBQFBNSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Humulene
CID 5281520
2,4,4-Trimethyl-2-pentene
CID 7869
3,4,4-Trimethyl-2-pentene
CID 11738
2-Hexene, 2,5-dimethyl-
CID 18853
3-Hexene, 2,2-dimethyl-, (Z)-
CID 5357260
2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
3-Hexene, 2,2-dimethyl-
CID 5357261
3-Methyl-3-heptene
CID 5364732
3,5,5-Trimethyl-2-hexene
CID 5365055
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene
CID 6508206
3,4,4-Trimethyl-2-pentene, (2E)-
CID 5357254
3,5-Dimethyl-3-heptene
CID 5364776

Frequently Asked Questions

What is the IUPAC name of (5E)-2,6,7,7-tetramethylocta-2,5-diene?
The IUPAC name of (5E)-2,6,7,7-tetramethylocta-2,5-diene (CID 12510896) is (5E)-2,6,7,7-tetramethylocta-2,5-diene.
What is the SMILES notation for (5E)-2,6,7,7-tetramethylocta-2,5-diene?
The canonical SMILES for (5E)-2,6,7,7-tetramethylocta-2,5-diene is CC(C)=CC/C=C(\C)C(C)(C)C.
What is the InChIKey of (5E)-2,6,7,7-tetramethylocta-2,5-diene?
The InChIKey is DCRXNQRLXFSWMO-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H22/c1-10(2)8-7-9-11(3)12(4,5)6/h8-9H,7H2,1-6H3/b11-9+.
What are the key properties of (5E)-2,6,7,7-tetramethylocta-2,5-diene?
(5E)-2,6,7,7-tetramethylocta-2,5-diene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,6,7,7-tetramethylocta-2,5-diene is sourced from PubChem (CID 12510896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).