oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate

C13H16O4 — CID 69398677

IUPACoxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate
SMILESC=C(Cc1ccco1)C(=O)OCC1CCCO1
InChIInChI=1S/C13H16O4/c1-10(8-11-4-2-6-15-11)13(14)17-9-12-5-3-7-16-12/h2,4,6,12H,1,3,5,7-9H2
InChIKeyDRRKEUQCZZEOHB-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.10
Rot. Bonds5

About oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate

oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate (PubChem CID 69398677) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate
PubChem CID69398677
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Nameoxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate
SMILESC=C(Cc1ccco1)C(=O)OCC1CCCO1
InChIInChI=1S/C13H16O4/c1-10(8-11-4-2-6-15-11)13(14)17-9-12-5-3-7-16-12/h2,4,6,12H,1,3,5,7-9H2
InChIKeyDRRKEUQCZZEOHB-UHFFFAOYSA-N
XLogP2.10
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-oxolan-2-yl]ethyl 2-(furan-2-yl)acetate
CID 97078806
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
2-(oxolan-2-ylmethylperoxymethyl)furan
CID 174548710
oxolan-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61308884
oxolan-2-ylmethyl 2-iodoprop-2-enoate
CID 71551537
4-[2-(furan-2-ylmethyl)prop-2-enoyloxy]-2-methylidenebutanoic acid
CID 70348245
1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one
CID 115795730
oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 66662121
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate?
The IUPAC name of oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate (CID 69398677) is oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate.
What is the SMILES notation for oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate?
The canonical SMILES for oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate is C=C(Cc1ccco1)C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate?
The InChIKey is DRRKEUQCZZEOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-10(8-11-4-2-6-15-11)13(14)17-9-12-5-3-7-16-12/h2,4,6,12H,1,3,5,7-9H2.
What are the key properties of oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate?
oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate is sourced from PubChem (CID 69398677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).