4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene

C13H20O — CID 22719146

IUPAC4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene
SMILESC=CCOC(CC=C)(CC=C)CC=C
InChIInChI=1S/C13H20O/c1-5-9-13(10-6-2,11-7-3)14-12-8-4/h5-8H,1-4,9-12H2
InChIKeySZIRGLCKJQJVPU-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.66
Rot. Bonds9

About 4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene

4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene (PubChem CID 22719146) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene.

Molecular Properties

Compound Name4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene
PubChem CID22719146
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene
SMILESC=CCOC(CC=C)(CC=C)CC=C
InChIInChI=1S/C13H20O/c1-5-9-13(10-6-2,11-7-3)14-12-8-4/h5-8H,1-4,9-12H2
InChIKeySZIRGLCKJQJVPU-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Prop-2-enoxyhepta-1,6-diene
CID 87292368
Vinyl-Allyl-Ather
CID 129888346
4-Prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene
CID 10609080
3-Ethenyl-2,2-diethyloxirane
CID 13003617
4-(Allyloxy)-4-methylpent-1-ene
CID 13685578
3-Methyl-3-prop-2-enoxypentane
CID 20283469
2,3,4-Trimethyl-3-prop-2-enoxypenta-1,4-diene
CID 22948202
4-Methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene
CID 88543104
4-Butoxy-4-methylhepta-1,6-diene
CID 90084396
3-Ethenyl-3-methoxy-2-methylhexa-1,5-diene
CID 123768092
4-Ethoxy-4-prop-2-enylhepta-1,6-diene
CID 140997443
3-Ethyl-3-propoxyhex-1-ene
CID 141064415

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene?
The IUPAC name of 4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene (CID 22719146) is 4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene.
What is the SMILES notation for 4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene?
The canonical SMILES for 4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene is C=CCOC(CC=C)(CC=C)CC=C.
What is the InChIKey of 4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene?
The InChIKey is SZIRGLCKJQJVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-9-13(10-6-2,11-7-3)14-12-8-4/h5-8H,1-4,9-12H2.
What are the key properties of 4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene?
4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene has a molecular weight of 192.30 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-4-prop-2-enylhepta-1,6-diene is sourced from PubChem (CID 22719146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).