bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal

C14H24O10 — CID 174462033

IUPACbis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.2C4H6O2/c7-1-3(9)5(11)6(12)4(10)2-8;2*1-3(2)4(5)6/h1,3-6,8-12H,2H2;2*1H2,2H3,(H,5,6)
InChIKeyCVCYKTXEAQWEGM-UHFFFAOYSA-N
MW352.34 g/mol
LogP-2.08
Rot. Bonds7

About bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal

bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal (PubChem CID 174462033) has the molecular formula C14H24O10 and a molecular weight of 352.34 g/mol. Its IUPAC name is bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

Compound Namebis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal
PubChem CID174462033
Molecular FormulaC14H24O10
Molecular Weight352.34 g/mol
Exact Mass352.14
IUPAC Namebis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.2C4H6O2/c7-1-3(9)5(11)6(12)4(10)2-8;2*1-3(2)4(5)6/h1,3-6,8-12H,2H2;2*1H2,2H3,(H,5,6)
InChIKeyCVCYKTXEAQWEGM-UHFFFAOYSA-N
XLogP-2.08
TPSA192.82 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 5-2.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;azane;2,3,4,5,6-pentahydroxyhexanal
CID 174736438
acetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 173049059
2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87645451
2-methylbut-2-enoic acid;2,3,4,5,6-pentahydroxyhexanal
CID 174905652
azanium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;acetate
CID 87881903
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;diacetate
CID 163677302

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal?
The IUPAC name of bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal (CID 174462033) is bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal.
What is the SMILES notation for bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal?
The canonical SMILES for bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal is C=C(C)C(=O)O.C=C(C)C(=O)O.O=CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal?
The InChIKey is CVCYKTXEAQWEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.2C4H6O2/c7-1-3(9)5(11)6(12)4(10)2-8;2*1-3(2)4(5)6/h1,3-6,8-12H,2H2;2*1H2,2H3,(H,5,6).
What are the key properties of bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal?
bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 352.34 g/mol, XLogP of -2.08, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 174462033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).