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

C17H30O — CID 21082896

IUPAC(2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene
SMILESCCCCC/C=C/OC/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/h9,11,13-14H,5-8,10,12,15H2,1-4H3/b14-9+,17-13+
InChIKeyHDIRYZZNTNARJT-IZLFASKTSA-N
MW250.43 g/mol
LogP5.79
Rot. Bonds10

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

(2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene (PubChem CID 21082896) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene
PubChem CID21082896
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene
SMILESCCCCC/C=C/OC/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/h9,11,13-14H,5-8,10,12,15H2,1-4H3/b14-9+,17-13+
InChIKeyHDIRYZZNTNARJT-IZLFASKTSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyltetradeca-2,6-diene
CID 57189781
[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (Z)-octadec-9-enoate
CID 11421537
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
[(2Z)-3,7-dimethylocta-2,6-dienyl] hexanoate
CID 12571389
(1Z,3E)-1-(3-methylbut-2-enoxy)octa-1,3-diene
CID 12000182
[(2E)-3,7-dimethylocta-2,6-dienyl] dodecanoate
CID 6114709
3,7-dimethylocta-2,6-dienyl pentadecanoate
CID 173120607
O-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hexanethioate
CID 146803287
(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene
CID 6437124
1-non-2-enoxynon-1-ene
CID 151686725
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] decanoate
CID 56935986
[(2E)-3,7-dimethylocta-2,6-dienoxy]-dimethyl-octoxysilane
CID 91697248

Frequently Asked Questions

What is the IUPAC name of (2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene (CID 21082896) is (2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene is CCCCC/C=C/OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene?
The InChIKey is HDIRYZZNTNARJT-IZLFASKTSA-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/h9,11,13-14H,5-8,10,12,15H2,1-4H3/b14-9+,17-13+.
What are the key properties of (2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene?
(2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene has a molecular weight of 250.43 g/mol, XLogP of 5.79, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 21082896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).