[2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)

C13H22O6 — CID 68927057

IUPAC[2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.OCC1CC1CO
InChIInChI=1S/C5H10O2.2C4H6O2/c6-2-4-1-5(4)3-7;2*1-3(2)4(5)6/h4-7H,1-3H2;2*1H2,2H3,(H,5,6)
InChIKeyLUELSFPKWJEFNL-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.90
Rot. Bonds4

About [2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)

[2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid) (PubChem CID 68927057) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is [2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name[2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)
PubChem CID68927057
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name[2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.OCC1CC1CO
InChIInChI=1S/C5H10O2.2C4H6O2/c6-2-4-1-5(4)3-7;2*1-3(2)4(5)6/h4-7H,1-3H2;2*1H2,2H3,(H,5,6)
InChIKeyLUELSFPKWJEFNL-UHFFFAOYSA-N
XLogP0.90
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

adamantane;bis(2-methylprop-2-enoic acid)
CID 146540937
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid
CID 118622769
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of [2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid) (CID 68927057) is [2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for [2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for [2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.OCC1CC1CO.
What is the InChIKey of [2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)?
The InChIKey is LUELSFPKWJEFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.2C4H6O2/c6-2-4-1-5(4)3-7;2*1-3(2)4(5)6/h4-7H,1-3H2;2*1H2,2H3,(H,5,6).
What are the key properties of [2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)?
[2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid) has a molecular weight of 274.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 68927057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).