(4E)-4,6,6-trimethylhepta-2,4-diene

C10H18 — CID 177420463

IUPAC(4E)-4,6,6-trimethylhepta-2,4-diene
SMILESCC=C/C(C)=C/C(C)(C)C
InChIInChI=1S/C10H18/c1-6-7-9(2)8-10(3,4)5/h6-8H,1-5H3/b7-6?,9-8+
InChIKeyOAVQAJDDEZNZNO-ANYPYVPJSA-N
MW138.25 g/mol
LogP3.55
Rot. Bonds1

About (4E)-4,6,6-trimethylhepta-2,4-diene

(4E)-4,6,6-trimethylhepta-2,4-diene (PubChem CID 177420463) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (4E)-4,6,6-trimethylhepta-2,4-diene.

Molecular Properties

Compound Name(4E)-4,6,6-trimethylhepta-2,4-diene
PubChem CID177420463
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(4E)-4,6,6-trimethylhepta-2,4-diene
SMILESCC=C/C(C)=C/C(C)(C)C
InChIInChI=1S/C10H18/c1-6-7-9(2)8-10(3,4)5/h6-8H,1-5H3/b7-6?,9-8+
InChIKeyOAVQAJDDEZNZNO-ANYPYVPJSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4,6,6-trimethylhepta-2,4-diene?
The IUPAC name of (4E)-4,6,6-trimethylhepta-2,4-diene (CID 177420463) is (4E)-4,6,6-trimethylhepta-2,4-diene.
What is the SMILES notation for (4E)-4,6,6-trimethylhepta-2,4-diene?
The canonical SMILES for (4E)-4,6,6-trimethylhepta-2,4-diene is CC=C/C(C)=C/C(C)(C)C.
What is the InChIKey of (4E)-4,6,6-trimethylhepta-2,4-diene?
The InChIKey is OAVQAJDDEZNZNO-ANYPYVPJSA-N. The full InChI is InChI=1S/C10H18/c1-6-7-9(2)8-10(3,4)5/h6-8H,1-5H3/b7-6?,9-8+.
What are the key properties of (4E)-4,6,6-trimethylhepta-2,4-diene?
(4E)-4,6,6-trimethylhepta-2,4-diene has a molecular weight of 138.25 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4,6,6-trimethylhepta-2,4-diene is sourced from PubChem (CID 177420463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).