1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene

C11H18O5 — CID 174975222

IUPAC1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene
SMILESC=C(C)C(=O)OC.C=CC.O=C1OCCO1
InChIInChI=1S/C5H8O2.C3H4O3.C3H6/c1-4(2)5(6)7-3;4-3-5-1-2-6-3;1-3-2/h1H2,2-3H3;1-2H2;3H,1H2,2H3
InChIKeyLSODMPABOOVRNJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.08
Rot. Bonds1

About 1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene

1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene (PubChem CID 174975222) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene.

Molecular Properties

Compound Name1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene
PubChem CID174975222
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene
SMILESC=C(C)C(=O)OC.C=CC.O=C1OCCO1
InChIInChI=1S/C5H8O2.C3H4O3.C3H6/c1-4(2)5(6)7-3;4-3-5-1-2-6-3;1-3-2/h1H2,2-3H3;1-2H2;3H,1H2,2H3
InChIKeyLSODMPABOOVRNJ-UHFFFAOYSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropanone;methyl 2-methylprop-2-enoate
CID 69017086
methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide
CID 158640879
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
cyclobutene-1,2-dicarboxylic acid;methyl 2-methylprop-2-enoate
CID 88665884
carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene
CID 174573576
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene?
The IUPAC name of 1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene (CID 174975222) is 1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene.
What is the SMILES notation for 1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene?
The canonical SMILES for 1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene is C=C(C)C(=O)OC.C=CC.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene?
The InChIKey is LSODMPABOOVRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C3H4O3.C3H6/c1-4(2)5(6)7-3;4-3-5-1-2-6-3;1-3-2/h1H2,2-3H3;1-2H2;3H,1H2,2H3.
What are the key properties of 1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene?
1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene has a molecular weight of 230.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;methyl 2-methylprop-2-enoate;prop-1-ene is sourced from PubChem (CID 174975222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).