butan-2-one;pentan-3-ol

C9H20O2 — CID 159181592

IUPACbutan-2-one;pentan-3-ol
SMILESCCC(C)=O.CCC(O)CC
InChIInChI=1S/C5H12O.C4H8O/c1-3-5(6)4-2;1-3-4(2)5/h5-6H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyKMYPKVURWAEDPK-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.15
Rot. Bonds3

About butan-2-one;pentan-3-ol

butan-2-one;pentan-3-ol (PubChem CID 159181592) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is butan-2-one;pentan-3-ol.

Molecular Properties

Compound Namebutan-2-one;pentan-3-ol
PubChem CID159181592
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Namebutan-2-one;pentan-3-ol
SMILESCCC(C)=O.CCC(O)CC
InChIInChI=1S/C5H12O.C4H8O/c1-3-5(6)4-2;1-3-4(2)5/h5-6H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyKMYPKVURWAEDPK-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pentan-3-ol
CID 11428
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane
CID 158905935
pentan-3-ol;dihydrochloride
CID 141116397
butan-2-one;ethane;2-methylpropane
CID 145444223
(4R,6R)-4,6-dihydroxyoctan-2-one
CID 58846635
butan-2-one;ethane;propane
CID 169173049
butan-2-one;oxotin
CID 57474512
butan-2-one;methane;propan-2-one
CID 157260382
butan-2-one;methane;propan-2-one
CID 159882043
butan-2-one;methanol;hydrate
CID 18949731
acetylene;butan-2-one
CID 145415849

Frequently Asked Questions

What is the IUPAC name of butan-2-one;pentan-3-ol?
The IUPAC name of butan-2-one;pentan-3-ol (CID 159181592) is butan-2-one;pentan-3-ol.
What is the SMILES notation for butan-2-one;pentan-3-ol?
The canonical SMILES for butan-2-one;pentan-3-ol is CCC(C)=O.CCC(O)CC.
What is the InChIKey of butan-2-one;pentan-3-ol?
The InChIKey is KMYPKVURWAEDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C4H8O/c1-3-5(6)4-2;1-3-4(2)5/h5-6H,3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of butan-2-one;pentan-3-ol?
butan-2-one;pentan-3-ol has a molecular weight of 160.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;pentan-3-ol is sourced from PubChem (CID 159181592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).