bis(1-hydroxycyclobutyl)methanone

C9H14O3 — CID 141223690

IUPACbis(1-hydroxycyclobutyl)methanone
SMILESO=C(C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C9H14O3/c10-7(8(11)3-1-4-8)9(12)5-2-6-9/h11-12H,1-6H2
InChIKeyDIOWCIPZDLYUSI-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.39
Rot. Bonds2

About bis(1-hydroxycyclobutyl)methanone

bis(1-hydroxycyclobutyl)methanone (PubChem CID 141223690) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is bis(1-hydroxycyclobutyl)methanone.

Molecular Properties

Compound Namebis(1-hydroxycyclobutyl)methanone
PubChem CID141223690
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namebis(1-hydroxycyclobutyl)methanone
SMILESO=C(C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C9H14O3/c10-7(8(11)3-1-4-8)9(12)5-2-6-9/h11-12H,1-6H2
InChIKeyDIOWCIPZDLYUSI-UHFFFAOYSA-N
XLogP0.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1-hydroxycyclopentyl)methanone
CID 57474499
1-(1-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 118667718
1-hydroxycyclopentane-1-carboxamide
CID 12857769
(1-hydroxycyclobutyl)-morpholin-4-ylmethanone
CID 130279279
1-hydroxy-N-propan-2-ylcyclobutane-1-carboxamide
CID 59859685
N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide
CID 131134101
(1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide
CID 118555978
2-bromo-1-(1-hydroxycyclohexyl)ethanone
CID 71436239
bicyclo[3.3.3]undecane-1,5-diol
CID 5251734
N-(2,2-dimethylpropyl)-1-hydroxycyclobutane-1-carboxamide
CID 126988304
1-hydroxy-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 131043772
(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone
CID 103450168

Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxycyclobutyl)methanone?
The IUPAC name of bis(1-hydroxycyclobutyl)methanone (CID 141223690) is bis(1-hydroxycyclobutyl)methanone.
What is the SMILES notation for bis(1-hydroxycyclobutyl)methanone?
The canonical SMILES for bis(1-hydroxycyclobutyl)methanone is O=C(C1(O)CCC1)C1(O)CCC1.
What is the InChIKey of bis(1-hydroxycyclobutyl)methanone?
The InChIKey is DIOWCIPZDLYUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-7(8(11)3-1-4-8)9(12)5-2-6-9/h11-12H,1-6H2.
What are the key properties of bis(1-hydroxycyclobutyl)methanone?
bis(1-hydroxycyclobutyl)methanone has a molecular weight of 170.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxycyclobutyl)methanone is sourced from PubChem (CID 141223690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).