2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol

C9H18O5 — CID 90417728

IUPAC2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol
SMILESO=C1CCCC1(CO)CO.OCCO
InChIInChI=1S/C7H12O3.C2H6O2/c8-4-7(5-9)3-1-2-6(7)10;3-1-2-4/h8-9H,1-5H2;3-4H,1-2H2
InChIKeyRWTFBODIRJHMRU-UHFFFAOYSA-N
MW206.24 g/mol
LogP-1.32
Rot. Bonds3

About 2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol

2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol (PubChem CID 90417728) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol
PubChem CID90417728
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol
SMILESO=C1CCCC1(CO)CO.OCCO
InChIInChI=1S/C7H12O3.C2H6O2/c8-4-7(5-9)3-1-2-6(7)10;3-1-2-4/h8-9H,1-5H2;3-4H,1-2H2
InChIKeyRWTFBODIRJHMRU-UHFFFAOYSA-N
XLogP-1.32
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,5,5-Tetra(hydroxymethyl)cyclopentanone
CID 234962
2-(Hydroxymethyl)-2-methylcyclopentanone
CID 274430
(2S)-2-(hydroxymethyl)-2-methylcyclopentan-1-one
CID 92162759
2,2-Bis(hydroxymethyl)cyclopentan-1-one
CID 14286870
Ethane-1,2-diol;2-(hydroxymethyl)cyclopentan-1-one
CID 175032099
2-(Hydroxymethyl)-2,4,4-trimethylcyclopentan-1-one
CID 46944539
(2S)-2-(hydroxymethyl)-2,4,4-trimethylcyclopentan-1-one
CID 46944540
1-[1-(Hydroxymethyl)cyclopentyl]ethan-1-one
CID 86023502
(2R)-2-(Hydroxymethyl)-2-methylcyclopentanone
CID 92248360
2,2-Bis(1-hydroxyethyl)cyclopentan-1-one
CID 130030109

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol?
The IUPAC name of 2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol (CID 90417728) is 2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol.
What is the SMILES notation for 2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol?
The canonical SMILES for 2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol is O=C1CCCC1(CO)CO.OCCO.
What is the InChIKey of 2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol?
The InChIKey is RWTFBODIRJHMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C2H6O2/c8-4-7(5-9)3-1-2-6(7)10;3-1-2-4/h8-9H,1-5H2;3-4H,1-2H2.
What are the key properties of 2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol?
2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol has a molecular weight of 206.24 g/mol, XLogP of -1.32, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol is sourced from PubChem (CID 90417728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).