1,1-bis(prop-2-enoxy)propane

C9H16O2 — CID 23342697

IUPAC1,1-bis(prop-2-enoxy)propane
SMILESC=CCOC(CC)OCC=C
InChIInChI=1S/C9H16O2/c1-4-7-10-9(6-3)11-8-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyOIDUDDROVIJRCD-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds7

About 1,1-bis(prop-2-enoxy)propane

1,1-bis(prop-2-enoxy)propane (PubChem CID 23342697) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1,1-bis(prop-2-enoxy)propane.

Molecular Properties

Compound Name1,1-bis(prop-2-enoxy)propane
PubChem CID23342697
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1,1-bis(prop-2-enoxy)propane
SMILESC=CCOC(CC)OCC=C
InChIInChI=1S/C9H16O2/c1-4-7-10-9(6-3)11-8-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyOIDUDDROVIJRCD-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enoxy)propane?
The IUPAC name of 1,1-bis(prop-2-enoxy)propane (CID 23342697) is 1,1-bis(prop-2-enoxy)propane.
What is the SMILES notation for 1,1-bis(prop-2-enoxy)propane?
The canonical SMILES for 1,1-bis(prop-2-enoxy)propane is C=CCOC(CC)OCC=C.
What is the InChIKey of 1,1-bis(prop-2-enoxy)propane?
The InChIKey is OIDUDDROVIJRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-7-10-9(6-3)11-8-5-2/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 1,1-bis(prop-2-enoxy)propane?
1,1-bis(prop-2-enoxy)propane has a molecular weight of 156.22 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enoxy)propane is sourced from PubChem (CID 23342697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).