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

C18H30O6 — CID 68922909

IUPAC[2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.OCC1CCC1(CO)C1CCC1
InChIInChI=1S/C10H18O2.2C4H6O2/c11-6-9-4-5-10(9,7-12)8-2-1-3-8;2*1-3(2)4(5)6/h8-9,11-12H,1-7H2;2*1H2,2H3,(H,5,6)
InChIKeyCXZPECCXUNJFCB-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.46
Rot. Bonds5

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

[2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid) (PubChem CID 68922909) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is [2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name[2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid)
PubChem CID68922909
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name[2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.OCC1CCC1(CO)C1CCC1
InChIInChI=1S/C10H18O2.2C4H6O2/c11-6-9-4-5-10(9,7-12)8-2-1-3-8;2*1-3(2)4(5)6/h8-9,11-12H,1-7H2;2*1H2,2H3,(H,5,6)
InChIKeyCXZPECCXUNJFCB-UHFFFAOYSA-N
XLogP2.46
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.46
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

[2-cyclooctyl-2-(hydroxymethyl)cyclooctyl]methanol;bis(2-methylprop-2-enoic acid)
CID 68920730
[1-(hydroxymethyl)-2-bicyclo[5.2.0]nonanyl]methanol
CID 66908286
2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide
CID 102421353
methylcyclobutane;2-methylprop-2-enoic acid
CID 68582164
[1-[1-(hydroxymethyl)cyclononyl]cyclononyl]methanol;bis(2-methylprop-2-enoic acid)
CID 158295547
ethylcyclobutane;tris(2-methylprop-2-enoic acid)
CID 67802354
[2-(hydroxymethyl)cyclopropyl]methanol;bis(2-methylprop-2-enoic acid)
CID 68927057
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 14282319
adamantane;bis(2-methylprop-2-enoic acid)
CID 146540937
cycloheptylcycloheptane;2-methylprop-2-enoic acid
CID 22186228
2-methylprop-2-enoic acid;piperidin-2-ylmethanol
CID 70536711

Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of [2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid) (CID 68922909) is [2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for [2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for [2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.OCC1CCC1(CO)C1CCC1.
What is the InChIKey of [2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid)?
The InChIKey is CXZPECCXUNJFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.2C4H6O2/c11-6-9-4-5-10(9,7-12)8-2-1-3-8;2*1-3(2)4(5)6/h8-9,11-12H,1-7H2;2*1H2,2H3,(H,5,6).
What are the key properties of [2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid)?
[2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid) has a molecular weight of 342.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-2-(hydroxymethyl)cyclobutyl]methanol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 68922909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).