3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane

C14H26O3 — CID 155632487

IUPAC3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane
SMILESC=CCOCC(CC)(COC)C(C)OCC=C
InChIInChI=1S/C14H26O3/c1-6-9-16-12-14(8-3,11-15-5)13(4)17-10-7-2/h6-7,13H,1-2,8-12H2,3-5H3
InChIKeyFAOUNGMRUDEZPR-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.82
Rot. Bonds11

About 3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane

3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane (PubChem CID 155632487) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane.

Molecular Properties

Compound Name3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane
PubChem CID155632487
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane
SMILESC=CCOCC(CC)(COC)C(C)OCC=C
InChIInChI=1S/C14H26O3/c1-6-9-16-12-14(8-3,11-15-5)13(4)17-10-7-2/h6-7,13H,1-2,8-12H2,3-5H3
InChIKeyFAOUNGMRUDEZPR-UHFFFAOYSA-N
XLogP2.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane?
The IUPAC name of 3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane (CID 155632487) is 3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane.
What is the SMILES notation for 3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane?
The canonical SMILES for 3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane is C=CCOCC(CC)(COC)C(C)OCC=C.
What is the InChIKey of 3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane?
The InChIKey is FAOUNGMRUDEZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-9-16-12-14(8-3,11-15-5)13(4)17-10-7-2/h6-7,13H,1-2,8-12H2,3-5H3.
What are the key properties of 3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane?
3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane has a molecular weight of 242.36 g/mol, XLogP of 2.82, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-prop-2-enoxy-3-(prop-2-enoxymethyl)pentane is sourced from PubChem (CID 155632487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).