4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid)

C16H26O8 — CID 88718722

IUPAC4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(CC(O)CCCO)C(=O)O
InChIInChI=1S/C8H14O4.2C4H6O2/c1-6(8(11)12)5-7(10)3-2-4-9;2*1-3(2)4(5)6/h7,9-10H,1-5H2,(H,11,12);2*1H2,2H3,(H,5,6)
InChIKeyBKDSPGKUGPIFNO-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.44
Rot. Bonds8

About 4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid)

4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid) (PubChem CID 88718722) has the molecular formula C16H26O8 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid)
PubChem CID88718722
Molecular FormulaC16H26O8
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(CC(O)CCCO)C(=O)O
InChIInChI=1S/C8H14O4.2C4H6O2/c1-6(8(11)12)5-7(10)3-2-4-9;2*1-3(2)4(5)6/h7,9-10H,1-5H2,(H,11,12);2*1H2,2H3,(H,5,6)
InChIKeyBKDSPGKUGPIFNO-UHFFFAOYSA-N
XLogP1.44
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylprop-2-enoic acid);octane-1,8-diol
CID 87149429
hexane-1,2-diol;2-methylprop-2-enoic acid
CID 126599636
6,8-dihydroxy-2-methylideneoctanoic acid
CID 87304180
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexane-1,6-diol;pentakis(2-methylprop-2-enoic acid)
CID 173132083
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
(4R)-6-bromohept-6-ene-1,4-diol
CID 88566902
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
2-methylprop-2-enoic acid;trihydroxysilane
CID 175526061
ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid)
CID 173263154
2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
2-methylprop-2-enoic acid;octan-1-ol
CID 174681035

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid) (CID 88718722) is 4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(CC(O)CCCO)C(=O)O.
What is the InChIKey of 4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid)?
The InChIKey is BKDSPGKUGPIFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.2C4H6O2/c1-6(8(11)12)5-7(10)3-2-4-9;2*1-3(2)4(5)6/h7,9-10H,1-5H2,(H,11,12);2*1H2,2H3,(H,5,6).
What are the key properties of 4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid)?
4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid) has a molecular weight of 346.38 g/mol, XLogP of 1.44, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 88718722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).