3,3-bis(prop-2-enoxy)penta-1,4-diene

C11H16O2 — CID 11769137

IUPAC3,3-bis(prop-2-enoxy)penta-1,4-diene
SMILESC=CCOC(C=C)(C=C)OCC=C
InChIInChI=1S/C11H16O2/c1-5-9-12-11(7-3,8-4)13-10-6-2/h5-8H,1-4,9-10H2
InChIKeyBATVUGRDVLBIOY-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.46
Rot. Bonds8

About 3,3-bis(prop-2-enoxy)penta-1,4-diene

3,3-bis(prop-2-enoxy)penta-1,4-diene (PubChem CID 11769137) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,3-bis(prop-2-enoxy)penta-1,4-diene.

Molecular Properties

Compound Name3,3-bis(prop-2-enoxy)penta-1,4-diene
PubChem CID11769137
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3,3-bis(prop-2-enoxy)penta-1,4-diene
SMILESC=CCOC(C=C)(C=C)OCC=C
InChIInChI=1S/C11H16O2/c1-5-9-12-11(7-3,8-4)13-10-6-2/h5-8H,1-4,9-10H2
InChIKeyBATVUGRDVLBIOY-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 18764222
CID 18764222
2,2,4-trimethyl-4-prop-2-enoxypentane
CID 118027020
2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 87459958
diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium
CID 145267662
CID 87270455
CID 87270455
1,1,2-tris(prop-2-enoxy)ethylsilane
CID 173115766
(3S,5R)-2,3,5,6-tetramethyl-3-prop-2-enoxyheptane
CID 59926274
2-ethyl-2-prop-2-enoxypropane-1,3-diol
CID 11457842
3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid
CID 114997203
Potassium allyloxide
CID 87828396
2-methyl-2-prop-2-enoxyhex-5-en-3-amine
CID 87299855
2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid
CID 88753540

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(prop-2-enoxy)penta-1,4-diene?
The IUPAC name of 3,3-bis(prop-2-enoxy)penta-1,4-diene (CID 11769137) is 3,3-bis(prop-2-enoxy)penta-1,4-diene.
What is the SMILES notation for 3,3-bis(prop-2-enoxy)penta-1,4-diene?
The canonical SMILES for 3,3-bis(prop-2-enoxy)penta-1,4-diene is C=CCOC(C=C)(C=C)OCC=C.
What is the InChIKey of 3,3-bis(prop-2-enoxy)penta-1,4-diene?
The InChIKey is BATVUGRDVLBIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-9-12-11(7-3,8-4)13-10-6-2/h5-8H,1-4,9-10H2.
What are the key properties of 3,3-bis(prop-2-enoxy)penta-1,4-diene?
3,3-bis(prop-2-enoxy)penta-1,4-diene has a molecular weight of 180.25 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(prop-2-enoxy)penta-1,4-diene is sourced from PubChem (CID 11769137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).