methyl 3-(oxolan-2-ylmethyl)but-3-enoate

C10H16O3 — CID 117268632

IUPACmethyl 3-(oxolan-2-ylmethyl)but-3-enoate
SMILESC=C(CC(=O)OC)CC1CCCO1
InChIInChI=1S/C10H16O3/c1-8(7-10(11)12-2)6-9-4-3-5-13-9/h9H,1,3-7H2,2H3
InChIKeyMMONAPUVFBLCRV-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds4

About methyl 3-(oxolan-2-ylmethyl)but-3-enoate

methyl 3-(oxolan-2-ylmethyl)but-3-enoate (PubChem CID 117268632) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 3-(oxolan-2-ylmethyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 3-(oxolan-2-ylmethyl)but-3-enoate
PubChem CID117268632
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 3-(oxolan-2-ylmethyl)but-3-enoate
SMILESC=C(CC(=O)OC)CC1CCCO1
InChIInChI=1S/C10H16O3/c1-8(7-10(11)12-2)6-9-4-3-5-13-9/h9H,1,3-7H2,2H3
InChIKeyMMONAPUVFBLCRV-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
2-(oxolan-2-ylmethyl)prop-2-en-1-ol
CID 117266681
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
methyl 3-[2-methylidenebutyl(oxolan-2-ylmethyl)amino]propanoate
CID 113330840
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
N-(2-methylprop-2-enyl)-2-(oxolan-2-yl)acetamide
CID 114618448
2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 166002219
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
4-methoxy-1-(oxolan-2-yl)butan-2-one
CID 62620585
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate
CID 117169151

Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxolan-2-ylmethyl)but-3-enoate?
The IUPAC name of methyl 3-(oxolan-2-ylmethyl)but-3-enoate (CID 117268632) is methyl 3-(oxolan-2-ylmethyl)but-3-enoate.
What is the SMILES notation for methyl 3-(oxolan-2-ylmethyl)but-3-enoate?
The canonical SMILES for methyl 3-(oxolan-2-ylmethyl)but-3-enoate is C=C(CC(=O)OC)CC1CCCO1.
What is the InChIKey of methyl 3-(oxolan-2-ylmethyl)but-3-enoate?
The InChIKey is MMONAPUVFBLCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(7-10(11)12-2)6-9-4-3-5-13-9/h9H,1,3-7H2,2H3.
What are the key properties of methyl 3-(oxolan-2-ylmethyl)but-3-enoate?
methyl 3-(oxolan-2-ylmethyl)but-3-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxolan-2-ylmethyl)but-3-enoate is sourced from PubChem (CID 117268632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).