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

C15H24O2 — CID 86214872

IUPAC4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene
SMILESC=CCOCC(CC=C)(CC=C)COCC=C
InChIInChI=1S/C15H24O2/c1-5-9-15(10-6-2,13-16-11-7-3)14-17-12-8-4/h5-8H,1-4,9-14H2
InChIKeyYPYLLGBIJGUYLV-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.53
Rot. Bonds12

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

4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene (PubChem CID 86214872) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene.

Molecular Properties

Compound Name4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene
PubChem CID86214872
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene
SMILESC=CCOCC(CC=C)(CC=C)COCC=C
InChIInChI=1S/C15H24O2/c1-5-9-15(10-6-2,13-16-11-7-3)14-17-12-8-4/h5-8H,1-4,9-14H2
InChIKeyYPYLLGBIJGUYLV-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.53
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

4,4-Bis(methoxymethyl)-1,6-heptadiene
CID 11074076
4,4-Bis(ethoxymethyl)-1,6-heptadiene
CID 102449668
2,9-Dioxaspiro[6.6]trideca-4,11-diene
CID 86214882
(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene
CID 101200823
3,3-Bis(prop-2-enoxymethyl)pentane
CID 20599376
3-(Prop-2-enoxymethyl)-3-(propoxymethyl)pentane
CID 21136593
3-(4,4-Dimethylhex-1-en-3-yloxy)-4,4-dimethylhex-1-ene
CID 22151661
3-(But-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane
CID 59076838
3-(Prop-2-enoxymethyl)-3-prop-2-enyloxetane
CID 69535216
2-(Prop-2-enoxymethyl)-2-prop-2-enylpropane-1,3-diol
CID 88438070
(3S)-4-ethyl-3-(3-propoxypropoxy)hex-1-ene
CID 155476136
3-(Methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane
CID 155632487

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene?
The IUPAC name of 4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene (CID 86214872) is 4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene.
What is the SMILES notation for 4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene?
The canonical SMILES for 4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene is C=CCOCC(CC=C)(CC=C)COCC=C.
What is the InChIKey of 4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene?
The InChIKey is YPYLLGBIJGUYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-9-15(10-6-2,13-16-11-7-3)14-17-12-8-4/h5-8H,1-4,9-14H2.
What are the key properties of 4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene?
4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene has a molecular weight of 236.35 g/mol, XLogP of 3.53, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(prop-2-enoxymethyl)hepta-1,6-diene is sourced from PubChem (CID 86214872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).