methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate

C11H18O5 — CID 162409478

IUPACmethyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate
SMILESC=C(CC1(CCCO)OCCO1)C(=O)OC
InChIInChI=1S/C11H18O5/c1-9(10(13)14-2)8-11(4-3-5-12)15-6-7-16-11/h12H,1,3-8H2,2H3
InChIKeyQXKJRGRIBJFVQK-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.62
Rot. Bonds6

About methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate

methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate (PubChem CID 162409478) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate
PubChem CID162409478
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namemethyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate
SMILESC=C(CC1(CCCO)OCCO1)C(=O)OC
InChIInChI=1S/C11H18O5/c1-9(10(13)14-2)8-11(4-3-5-12)15-6-7-16-11/h12H,1,3-8H2,2H3
InChIKeyQXKJRGRIBJFVQK-UHFFFAOYSA-N
XLogP0.62
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate?
The IUPAC name of methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate (CID 162409478) is methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate is C=C(CC1(CCCO)OCCO1)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate?
The InChIKey is QXKJRGRIBJFVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-9(10(13)14-2)8-11(4-3-5-12)15-6-7-16-11/h12H,1,3-8H2,2H3.
What are the key properties of methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate?
methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate has a molecular weight of 230.26 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate is sourced from PubChem (CID 162409478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).