4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene

C14H22O2 — CID 10609080

IUPAC4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene
SMILESC=CCOCC(CC=C)(CC=C)OCC=C
InChIInChI=1S/C14H22O2/c1-5-9-14(10-6-2,16-12-8-4)13-15-11-7-3/h5-8H,1-4,9-13H2
InChIKeyDWPHHIZYVITRAX-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.28
Rot. Bonds11

About 4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene

4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene (PubChem CID 10609080) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene.

Molecular Properties

Compound Name4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene
PubChem CID10609080
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene
SMILESC=CCOCC(CC=C)(CC=C)OCC=C
InChIInChI=1S/C14H22O2/c1-5-9-14(10-6-2,16-12-8-4)13-15-11-7-3/h5-8H,1-4,9-13H2
InChIKeyDWPHHIZYVITRAX-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetraallyloxethane
CID 22719146
3-[Difluoro(3-fluoropropoxy)methyl]-2-methyl-3-prop-1-en-2-yloxyhexa-1,5-diene
CID 122631412
3-[Difluoro(3-fluoropropoxy)methyl]-2-methyl-3-prop-2-enoxyhexa-1,5-diene
CID 122631417
(3R,4S)-4-prop-2-enoxy-3-[(3R,4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
CID 11232389
(3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
CID 134882653
2-Prop-2-enoxy-2-prop-2-enylpent-4-en-1-ol
CID 10631292
3-prop-2-enoxy-3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-diene
CID 10798421
4-Methoxy-4-(methoxymethyl)hepta-1,6-diene
CID 10535163
2,2-Bis(prop-2-enyl)-1,4-dioxane
CID 67259470
4,5-Bis(prop-2-enoxy)cyclohexa-1,2-diene
CID 87586057
4-Methyl-4-(3-methyl-3-prop-2-enoxybutoxy)pent-1-ene
CID 88543104
(3R,4S)-3,4-dibutoxyhex-1-ene
CID 88901419

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene?
The IUPAC name of 4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene (CID 10609080) is 4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene.
What is the SMILES notation for 4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene?
The canonical SMILES for 4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene is C=CCOCC(CC=C)(CC=C)OCC=C.
What is the InChIKey of 4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene?
The InChIKey is DWPHHIZYVITRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-9-14(10-6-2,16-12-8-4)13-15-11-7-3/h5-8H,1-4,9-13H2.
What are the key properties of 4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene?
4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene has a molecular weight of 222.33 g/mol, XLogP of 3.28, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-4-(prop-2-enoxymethyl)hepta-1,6-diene is sourced from PubChem (CID 10609080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).