(3E)-2,3,5,5-tetramethylhexa-1,3-diene

C10H18 — CID 15140960

IUPAC(3E)-2,3,5,5-tetramethylhexa-1,3-diene
SMILESC=C(C)/C(C)=C/C(C)(C)C
InChIInChI=1S/C10H18/c1-8(2)9(3)7-10(4,5)6/h7H,1H2,2-6H3/b9-7+
InChIKeyVRNGORLCGVESDA-VQHVLOKHSA-N
MW138.25 g/mol
LogP3.55
Rot. Bonds1

About (3E)-2,3,5,5-tetramethylhexa-1,3-diene

(3E)-2,3,5,5-tetramethylhexa-1,3-diene (PubChem CID 15140960) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3E)-2,3,5,5-tetramethylhexa-1,3-diene.

Molecular Properties

Compound Name(3E)-2,3,5,5-tetramethylhexa-1,3-diene
PubChem CID15140960
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3E)-2,3,5,5-tetramethylhexa-1,3-diene
SMILESC=C(C)/C(C)=C/C(C)(C)C
InChIInChI=1S/C10H18/c1-8(2)9(3)7-10(4,5)6/h7H,1H2,2-6H3/b9-7+
InChIKeyVRNGORLCGVESDA-VQHVLOKHSA-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'}

Analyze (3E)-2,3,5,5-tetramethylhexa-1,3-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-2,3,5,5-tetramethylhexa-1,3-diene?
The IUPAC name of (3E)-2,3,5,5-tetramethylhexa-1,3-diene (CID 15140960) is (3E)-2,3,5,5-tetramethylhexa-1,3-diene.
What is the SMILES notation for (3E)-2,3,5,5-tetramethylhexa-1,3-diene?
The canonical SMILES for (3E)-2,3,5,5-tetramethylhexa-1,3-diene is C=C(C)/C(C)=C/C(C)(C)C.
What is the InChIKey of (3E)-2,3,5,5-tetramethylhexa-1,3-diene?
The InChIKey is VRNGORLCGVESDA-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)9(3)7-10(4,5)6/h7H,1H2,2-6H3/b9-7+.
What are the key properties of (3E)-2,3,5,5-tetramethylhexa-1,3-diene?
(3E)-2,3,5,5-tetramethylhexa-1,3-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 (3E)-2,3,5,5-tetramethylhexa-1,3-diene is sourced from PubChem (CID 15140960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).