(3E)-3,7-dimethylocta-1,3-diene

C10H18 — CID 5463450

IUPAC(3E)-3,7-dimethylocta-1,3-diene
SMILESC=C/C(C)=C/CCC(C)C
InChIInChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,8-9H,1,6-7H2,2-4H3/b10-8+
InChIKeyWUIFRGYQELQKDN-CSKARUKUSA-N
MW138.25 g/mol
LogP3.55
Rot. Bonds4

About (3E)-3,7-dimethylocta-1,3-diene

(3E)-3,7-dimethylocta-1,3-diene (PubChem CID 5463450) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3E)-3,7-dimethylocta-1,3-diene.

Molecular Properties

Compound Name(3E)-3,7-dimethylocta-1,3-diene
PubChem CID5463450
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3E)-3,7-dimethylocta-1,3-diene
SMILESC=C/C(C)=C/CCC(C)C
InChIInChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,8-9H,1,6-7H2,2-4H3/b10-8+
InChIKeyWUIFRGYQELQKDN-CSKARUKUSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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 (3E)-3,7-dimethylocta-1,3-diene?
The IUPAC name of (3E)-3,7-dimethylocta-1,3-diene (CID 5463450) is (3E)-3,7-dimethylocta-1,3-diene.
What is the SMILES notation for (3E)-3,7-dimethylocta-1,3-diene?
The canonical SMILES for (3E)-3,7-dimethylocta-1,3-diene is C=C/C(C)=C/CCC(C)C.
What is the InChIKey of (3E)-3,7-dimethylocta-1,3-diene?
The InChIKey is WUIFRGYQELQKDN-CSKARUKUSA-N. The full InChI is InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,8-9H,1,6-7H2,2-4H3/b10-8+.
What are the key properties of (3E)-3,7-dimethylocta-1,3-diene?
(3E)-3,7-dimethylocta-1,3-diene has a molecular weight of 138.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3,7-dimethylocta-1,3-diene is sourced from PubChem (CID 5463450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).