methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate

C11H22O7 — CID 161366700

IUPACmethane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate
SMILESC.C.C=CC(=O)OCC1OC(O)C(O)C(O)C1O
InChIInChI=1S/C9H14O7.2CH4/c1-2-5(10)15-3-4-6(11)7(12)8(13)9(14)16-4;;/h2,4,6-9,11-14H,1,3H2;2*1H4
InChIKeyVPXHYGUWRHIRIX-UHFFFAOYSA-N
MW266.29 g/mol
LogP-1.21
Rot. Bonds3

About methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate

methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate (PubChem CID 161366700) has the molecular formula C11H22O7 and a molecular weight of 266.29 g/mol. Its IUPAC name is methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate.

Molecular Properties

Compound Namemethane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate
PubChem CID161366700
Molecular FormulaC11H22O7
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Namemethane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate
SMILESC.C.C=CC(=O)OCC1OC(O)C(O)C(O)C1O
InChIInChI=1S/C9H14O7.2CH4/c1-2-5(10)15-3-4-6(11)7(12)8(13)9(14)16-4;;/h2,4,6-9,11-14H,1,3H2;2*1H4
InChIKeyVPXHYGUWRHIRIX-UHFFFAOYSA-N
XLogP-1.21
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate 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

4-O-ethenyl 1-O-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl] butanedioate
CID 102410329
4-O-ethenyl 1-O-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl] butanedioate
CID 101332396
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-methylprop-2-enoate
CID 123175000
methyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10331746
methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10399290
[(2S,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 171122915
(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
CID 156617029
(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate
CID 174899887
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate
CID 101002627
[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfate
CID 71434014
[(3S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (3R)-3,4-dihydroxy-2-methylidenebutanoate
CID 56940682
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate
CID 53322463

Frequently Asked Questions

What is the IUPAC name of methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate?
The IUPAC name of methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate (CID 161366700) is methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate.
What is the SMILES notation for methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate?
The canonical SMILES for methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate is C.C.C=CC(=O)OCC1OC(O)C(O)C(O)C1O.
What is the InChIKey of methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate?
The InChIKey is VPXHYGUWRHIRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O7.2CH4/c1-2-5(10)15-3-4-6(11)7(12)8(13)9(14)16-4;;/h2,4,6-9,11-14H,1,3H2;2*1H4.
What are the key properties of methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate?
methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate has a molecular weight of 266.29 g/mol, XLogP of -1.21, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate is sourced from PubChem (CID 161366700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).