(6E)-3,5-dimethylocta-1,6-diene

C10H18 — CID 5365812

IUPAC(6E)-3,5-dimethylocta-1,6-diene
SMILESC=CC(C)CC(C)/C=C/C
InChIInChI=1S/C10H18/c1-5-7-10(4)8-9(3)6-2/h5-7,9-10H,2,8H2,1,3-4H3/b7-5+
InChIKeyPXCHPVWZZYRFBV-FNORWQNLSA-N
MW138.25 g/mol
LogP3.41
Rot. Bonds4

About (6E)-3,5-dimethylocta-1,6-diene

(6E)-3,5-dimethylocta-1,6-diene (PubChem CID 5365812) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (6E)-3,5-dimethylocta-1,6-diene.

Molecular Properties

Compound Name(6E)-3,5-dimethylocta-1,6-diene
PubChem CID5365812
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(6E)-3,5-dimethylocta-1,6-diene
SMILESC=CC(C)CC(C)/C=C/C
InChIInChI=1S/C10H18/c1-5-7-10(4)8-9(3)6-2/h5-7,9-10H,2,8H2,1,3-4H3/b7-5+
InChIKeyPXCHPVWZZYRFBV-FNORWQNLSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-3,5-dimethylocta-1,6-diene?
The IUPAC name of (6E)-3,5-dimethylocta-1,6-diene (CID 5365812) is (6E)-3,5-dimethylocta-1,6-diene.
What is the SMILES notation for (6E)-3,5-dimethylocta-1,6-diene?
The canonical SMILES for (6E)-3,5-dimethylocta-1,6-diene is C=CC(C)CC(C)/C=C/C.
What is the InChIKey of (6E)-3,5-dimethylocta-1,6-diene?
The InChIKey is PXCHPVWZZYRFBV-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18/c1-5-7-10(4)8-9(3)6-2/h5-7,9-10H,2,8H2,1,3-4H3/b7-5+.
What are the key properties of (6E)-3,5-dimethylocta-1,6-diene?
(6E)-3,5-dimethylocta-1,6-diene has a molecular weight of 138.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,5-dimethylocta-1,6-diene is sourced from PubChem (CID 5365812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).