(2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene

C17H30O — CID 87830772

IUPAC(2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene
SMILESC=CCCCCCOC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-5-6-7-8-9-14-18-15-13-17(4)12-10-11-16(2)3/h5,11,13H,1,6-10,12,14-15H2,2-4H3/b17-13+
InChIKeyVZVGCUAOLYEXTN-GHRIWEEISA-N
MW250.43 g/mol
LogP5.44
Rot. Bonds11

About (2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene

(2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene (PubChem CID 87830772) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene
PubChem CID87830772
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene
SMILESC=CCCCCCOC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-5-6-7-8-9-14-18-15-13-17(4)12-10-11-16(2)3/h5,11,13H,1,6-10,12,14-15H2,2-4H3/b17-13+
InChIKeyVZVGCUAOLYEXTN-GHRIWEEISA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene (CID 87830772) is (2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene is C=CCCCCCOC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene?
The InChIKey is VZVGCUAOLYEXTN-GHRIWEEISA-N. The full InChI is InChI=1S/C17H30O/c1-5-6-7-8-9-14-18-15-13-17(4)12-10-11-16(2)3/h5,11,13H,1,6-10,12,14-15H2,2-4H3/b17-13+.
What are the key properties of (2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene?
(2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene has a molecular weight of 250.43 g/mol, XLogP of 5.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-hept-6-enoxy-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 87830772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).