cyclopentanone;1-methoxypropan-2-ol

C9H18O3 — CID 141468485

IUPACcyclopentanone;1-methoxypropan-2-ol
SMILESCOCC(C)O.O=C1CCCC1
InChIInChI=1S/C5H8O.C4H10O2/c6-5-3-1-2-4-5;1-4(5)3-6-2/h1-4H2;4-5H,3H2,1-2H3
InChIKeyDTTATFBMVVGJKW-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.14
Rot. Bonds2

About cyclopentanone;1-methoxypropan-2-ol

cyclopentanone;1-methoxypropan-2-ol (PubChem CID 141468485) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is cyclopentanone;1-methoxypropan-2-ol.

Molecular Properties

Compound Namecyclopentanone;1-methoxypropan-2-ol
PubChem CID141468485
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namecyclopentanone;1-methoxypropan-2-ol
SMILESCOCC(C)O.O=C1CCCC1
InChIInChI=1S/C5H8O.C4H10O2/c6-5-3-1-2-4-5;1-4(5)3-6-2/h1-4H2;4-5H,3H2,1-2H3
InChIKeyDTTATFBMVVGJKW-UHFFFAOYSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxyethanol;pentan-3-one
CID 88202649
Butan-2-one;1-methoxypropan-2-ol
CID 88465088
1-Methoxypropan-2-ol;pentan-3-one
CID 89375765
Hexan-2-one;2-methoxyethanol
CID 158133089
1-Methoxypropan-2-ol;pentan-2-one
CID 159536504
Cyclopentanone;methyl 2-hydroxypropanoate
CID 159727369
Cyclopentanone;propane-1,2-diol
CID 160681344
1-Ethoxypropan-2-ol;pentan-3-one
CID 162258913
2-Methoxyethanol;pentan-2-one
CID 174873193
Acetic acid;cyclopentanone;methoxymethane;propane-1,2-diol
CID 174875067

Frequently Asked Questions

What is the IUPAC name of cyclopentanone;1-methoxypropan-2-ol?
The IUPAC name of cyclopentanone;1-methoxypropan-2-ol (CID 141468485) is cyclopentanone;1-methoxypropan-2-ol.
What is the SMILES notation for cyclopentanone;1-methoxypropan-2-ol?
The canonical SMILES for cyclopentanone;1-methoxypropan-2-ol is COCC(C)O.O=C1CCCC1.
What is the InChIKey of cyclopentanone;1-methoxypropan-2-ol?
The InChIKey is DTTATFBMVVGJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C4H10O2/c6-5-3-1-2-4-5;1-4(5)3-6-2/h1-4H2;4-5H,3H2,1-2H3.
What are the key properties of cyclopentanone;1-methoxypropan-2-ol?
cyclopentanone;1-methoxypropan-2-ol has a molecular weight of 174.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;1-methoxypropan-2-ol is sourced from PubChem (CID 141468485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).