nonan-5-one;propan-2-ol

C12H26O2 — CID 87747214

IUPACnonan-5-one;propan-2-ol
SMILESCC(C)O.CCCCC(=O)CCCC
InChIInChI=1S/C9H18O.C3H8O/c1-3-5-7-9(10)8-6-4-2;1-3(2)4/h3-8H2,1-2H3;3-4H,1-2H3
InChIKeyRYKWSKLWHRUABI-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.32
Rot. Bonds6

About nonan-5-one;propan-2-ol

nonan-5-one;propan-2-ol (PubChem CID 87747214) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is nonan-5-one;propan-2-ol.

Molecular Properties

Compound Namenonan-5-one;propan-2-ol
PubChem CID87747214
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Namenonan-5-one;propan-2-ol
SMILESCC(C)O.CCCCC(=O)CCCC
InChIInChI=1S/C9H18O.C3H8O/c1-3-5-7-9(10)8-6-4-2;1-3(2)4/h3-8H2,1-2H3;3-4H,1-2H3
InChIKeyRYKWSKLWHRUABI-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of nonan-5-one;propan-2-ol?
The IUPAC name of nonan-5-one;propan-2-ol (CID 87747214) is nonan-5-one;propan-2-ol.
What is the SMILES notation for nonan-5-one;propan-2-ol?
The canonical SMILES for nonan-5-one;propan-2-ol is CC(C)O.CCCCC(=O)CCCC.
What is the InChIKey of nonan-5-one;propan-2-ol?
The InChIKey is RYKWSKLWHRUABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C3H8O/c1-3-5-7-9(10)8-6-4-2;1-3(2)4/h3-8H2,1-2H3;3-4H,1-2H3.
What are the key properties of nonan-5-one;propan-2-ol?
nonan-5-one;propan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-5-one;propan-2-ol is sourced from PubChem (CID 87747214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).