2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane

C14H26O5 — CID 152537672

IUPAC2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane
SMILESCC=COCCCC1(OC)CCCOC1(OC)OC
InChIInChI=1S/C14H26O5/c1-5-10-18-11-6-8-13(15-2)9-7-12-19-14(13,16-3)17-4/h5,10H,6-9,11-12H2,1-4H3
InChIKeyYKWKANMVFXLIEH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.46
Rot. Bonds8

About 2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane

2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane (PubChem CID 152537672) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane.

Molecular Properties

Compound Name2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane
PubChem CID152537672
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane
SMILESCC=COCCCC1(OC)CCCOC1(OC)OC
InChIInChI=1S/C14H26O5/c1-5-10-18-11-6-8-13(15-2)9-7-12-19-14(13,16-3)17-4/h5,10H,6-9,11-12H2,1-4H3
InChIKeyYKWKANMVFXLIEH-UHFFFAOYSA-N
XLogP2.46
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(3-But-1-enoxypropyl)-2,2,3-trimethoxyoxane
CID 149698293
3-(3-But-1-enoxypropyl)-2,2,3-tributoxyoxane
CID 150903948
3-(3-But-1-enoxypropyl)-2,2,3-triethoxyoxane
CID 151066748
3-[3-(2,2,3-Triethoxyoxan-3-yl)propoxy]prop-2-ene-1-thiol
CID 151134395
2,2,3-Trimethoxy-3-(10-prop-1-enoxyundecyl)oxane
CID 151421747
2,2,3-Triethoxy-3-(3-prop-1-enoxypropyl)oxane
CID 151496914
2,2,3-Tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 151751572
2-Ethoxy-2,3-dimethyl-3-(3-prop-1-enoxypropyl)oxane
CID 152128302
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
CID 176604387

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane?
The IUPAC name of 2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane (CID 152537672) is 2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane.
What is the SMILES notation for 2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane?
The canonical SMILES for 2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane is CC=COCCCC1(OC)CCCOC1(OC)OC.
What is the InChIKey of 2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane?
The InChIKey is YKWKANMVFXLIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-5-10-18-11-6-8-13(15-2)9-7-12-19-14(13,16-3)17-4/h5,10H,6-9,11-12H2,1-4H3.
What are the key properties of 2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane?
2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane has a molecular weight of 274.36 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethoxy-3-(3-prop-1-enoxypropyl)oxane is sourced from PubChem (CID 152537672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).