(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene

C12H22O5 — CID 19748341

IUPAC(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.COC1(C)OCC(CO)O1
InChIInChI=1S/C6H12O4.C6H10O/c1-6(8-2)9-4-5(3-7)10-6;1-3-5-7-6-4-2/h5,7H,3-4H2,1-2H3;3-4H,1-2,5-6H2
InChIKeyULJYDEMVTZIPKY-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.09
Rot. Bonds6

About (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene

(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene (PubChem CID 19748341) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene
PubChem CID19748341
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.COC1(C)OCC(CO)O1
InChIInChI=1S/C6H12O4.C6H10O/c1-6(8-2)9-4-5(3-7)10-6;1-3-5-7-6-4-2/h5,7H,3-4H2,1-2H3;3-4H,1-2,5-6H2
InChIKeyULJYDEMVTZIPKY-UHFFFAOYSA-N
XLogP1.09
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene?
The IUPAC name of (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene (CID 19748341) is (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.COC1(C)OCC(CO)O1.
What is the InChIKey of (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene?
The InChIKey is ULJYDEMVTZIPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4.C6H10O/c1-6(8-2)9-4-5(3-7)10-6;1-3-5-7-6-4-2/h5,7H,3-4H2,1-2H3;3-4H,1-2,5-6H2.
What are the key properties of (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene?
(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene has a molecular weight of 246.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-methyl-1,3-dioxolan-4-yl)methanol;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 19748341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).