molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate

C12H20O5 — CID 158631778

IUPACmolecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
SMILESC=CC(=O)OCCCC(=O)OCC1CCCO1.[H][H]
InChIInChI=1S/C12H18O5.H2/c1-2-11(13)16-8-4-6-12(14)17-9-10-5-3-7-15-10;/h2,10H,1,3-9H2;1H
InChIKeyHZHBASXGYSFCQK-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.46
Rot. Bonds7

About molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate

molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate (PubChem CID 158631778) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate.

Molecular Properties

Compound Namemolecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
PubChem CID158631778
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Namemolecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
SMILESC=CC(=O)OCCCC(=O)OCC1CCCO1.[H][H]
InChIInChI=1S/C12H18O5.H2/c1-2-11(13)16-8-4-6-12(14)17-9-10-5-3-7-15-10;/h2,10H,1,3-9H2;1H
InChIKeyHZHBASXGYSFCQK-UHFFFAOYSA-N
XLogP1.46
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate 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

[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
4-(oxetan-2-ylmethoxy)butyl prop-2-enoate
CID 172840371
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
1-O-hexyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695857
1-O-heptyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695874
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
2-methylidenebutanoic acid;oxolan-2-ylmethyl prop-2-enoate
CID 175439549
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653429
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate?
The IUPAC name of molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate (CID 158631778) is molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate.
What is the SMILES notation for molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate?
The canonical SMILES for molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate is C=CC(=O)OCCCC(=O)OCC1CCCO1.[H][H].
What is the InChIKey of molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate?
The InChIKey is HZHBASXGYSFCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5.H2/c1-2-11(13)16-8-4-6-12(14)17-9-10-5-3-7-15-10;/h2,10H,1,3-9H2;1H.
What are the key properties of molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate?
molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate has a molecular weight of 244.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate is sourced from PubChem (CID 158631778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).