ethene;9-hydroxynonan-2-one

C11H22O2 — CID 23344517

IUPACethene;9-hydroxynonan-2-one
SMILESC=C.CC(=O)CCCCCCCO
InChIInChI=1S/C9H18O2.C2H4/c1-9(11)7-5-3-2-4-6-8-10;1-2/h10H,2-8H2,1H3;1-2H2
InChIKeyJQUJOPCYTRXAEZ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.71
Rot. Bonds7

About ethene;9-hydroxynonan-2-one

ethene;9-hydroxynonan-2-one (PubChem CID 23344517) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is ethene;9-hydroxynonan-2-one.

Molecular Properties

Compound Nameethene;9-hydroxynonan-2-one
PubChem CID23344517
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Nameethene;9-hydroxynonan-2-one
SMILESC=C.CC(=O)CCCCCCCO
InChIInChI=1S/C9H18O2.C2H4/c1-9(11)7-5-3-2-4-6-8-10;1-2/h10H,2-8H2,1H3;1-2H2
InChIKeyJQUJOPCYTRXAEZ-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 10966641
docosane-2,21-dione
CID 537416
ethane-1,2-diol;henicosan-2-one
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CID 87902708
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formaldehyde;octan-2-one
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Frequently Asked Questions

What is the IUPAC name of ethene;9-hydroxynonan-2-one?
The IUPAC name of ethene;9-hydroxynonan-2-one (CID 23344517) is ethene;9-hydroxynonan-2-one.
What is the SMILES notation for ethene;9-hydroxynonan-2-one?
The canonical SMILES for ethene;9-hydroxynonan-2-one is C=C.CC(=O)CCCCCCCO.
What is the InChIKey of ethene;9-hydroxynonan-2-one?
The InChIKey is JQUJOPCYTRXAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C2H4/c1-9(11)7-5-3-2-4-6-8-10;1-2/h10H,2-8H2,1H3;1-2H2.
What are the key properties of ethene;9-hydroxynonan-2-one?
ethene;9-hydroxynonan-2-one has a molecular weight of 186.29 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;9-hydroxynonan-2-one is sourced from PubChem (CID 23344517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).