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

C11H20O2 — CID 3018524

IUPAC1,1-bis(prop-2-enoxy)pentane
SMILESC=CCOC(CCCC)OCC=C
InChIInChI=1S/C11H20O2/c1-4-7-8-11(12-9-5-2)13-10-6-3/h5-6,11H,2-4,7-10H2,1H3
InChIKeyKWRBYSVDENXDJB-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds9

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

1,1-bis(prop-2-enoxy)pentane (PubChem CID 3018524) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,1-bis(prop-2-enoxy)pentane.

Molecular Properties

Compound Name1,1-bis(prop-2-enoxy)pentane
PubChem CID3018524
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1,1-bis(prop-2-enoxy)pentane
SMILESC=CCOC(CCCC)OCC=C
InChIInChI=1S/C11H20O2/c1-4-7-8-11(12-9-5-2)13-10-6-3/h5-6,11H,2-4,7-10H2,1H3
InChIKeyKWRBYSVDENXDJB-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
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

3,3-Diethoxy-1-propene
CID 62477
1,1-Diethoxy-2-butene
CID 99778
1,3,3-Triethoxy-1-propene, (E)-
CID 5369370
trans-2-Butenal diethyl acetal
CID 6278424
2-Allyloxytetrahydropyran
CID 4532059
1,3,3-Triethoxy-1-propene, (Z)-
CID 5354783
Propionaldehyde dicrotyl acetal
CID 6437580
3-[1-(Prop-2-en-1-yloxy)ethoxy]prop-1-ene
CID 225379
3-Ethoxyacrolein diethyl acetal
CID 21587
3-[2-Methyl-1-(prop-2-en-1-yloxy)propoxy]prop-1-ene
CID 225386
1,1-Bis[(prop-2-en-1-yl)oxy]butane
CID 329136
1,3-Dioxepin, 2-butyl-4,7-dihydro-
CID 11051900

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enoxy)pentane?
The IUPAC name of 1,1-bis(prop-2-enoxy)pentane (CID 3018524) is 1,1-bis(prop-2-enoxy)pentane.
What is the SMILES notation for 1,1-bis(prop-2-enoxy)pentane?
The canonical SMILES for 1,1-bis(prop-2-enoxy)pentane is C=CCOC(CCCC)OCC=C.
What is the InChIKey of 1,1-bis(prop-2-enoxy)pentane?
The InChIKey is KWRBYSVDENXDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-7-8-11(12-9-5-2)13-10-6-3/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1,1-bis(prop-2-enoxy)pentane?
1,1-bis(prop-2-enoxy)pentane has a molecular weight of 184.28 g/mol, XLogP of 2.91, 9 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)pentane is sourced from PubChem (CID 3018524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).