4-hydroxy-3-methylidenenonan-2-one

C10H18O2 — CID 11457923

IUPAC4-hydroxy-3-methylidenenonan-2-one
SMILESC=C(C(C)=O)C(O)CCCCC
InChIInChI=1S/C10H18O2/c1-4-5-6-7-10(12)8(2)9(3)11/h10,12H,2,4-7H2,1,3H3
InChIKeyXSKPTZTXVMVYQX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds6

About 4-hydroxy-3-methylidenenonan-2-one

4-hydroxy-3-methylidenenonan-2-one (PubChem CID 11457923) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-hydroxy-3-methylidenenonan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methylidenenonan-2-one
PubChem CID11457923
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-hydroxy-3-methylidenenonan-2-one
SMILESC=C(C(C)=O)C(O)CCCCC
InChIInChI=1S/C10H18O2/c1-4-5-6-7-10(12)8(2)9(3)11/h10,12H,2,4-7H2,1,3H3
InChIKeyXSKPTZTXVMVYQX-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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2-(1-Hydroxyhexyl)cyclopent-2-en-1-one
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4-Hydroxy-2-octyl-2-cyclopentenone
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Methyl 3-hydroxy-2-methylideneoctanoate
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2-[(1R)-1-hydroxyheptyl]cyclohex-2-en-1-one
CID 11401569
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CID 12171583
2-[(1R)-1-hydroxyhexyl]cyclohex-2-en-1-one
CID 12171584
2-[(1R)-1-hydroxyoctyl]cyclohex-2-en-1-one
CID 12171585
2-(1-Hydroxypentyl)-2-cyclopenten-1-one
CID 11636872
2-(1-Hydroxyheptyl)cyclopent-2-en-1-one
CID 69343268
4-Hydroxy-3-methylideneundecan-2-one
CID 10867296

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methylidenenonan-2-one?
The IUPAC name of 4-hydroxy-3-methylidenenonan-2-one (CID 11457923) is 4-hydroxy-3-methylidenenonan-2-one.
What is the SMILES notation for 4-hydroxy-3-methylidenenonan-2-one?
The canonical SMILES for 4-hydroxy-3-methylidenenonan-2-one is C=C(C(C)=O)C(O)CCCCC.
What is the InChIKey of 4-hydroxy-3-methylidenenonan-2-one?
The InChIKey is XSKPTZTXVMVYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-7-10(12)8(2)9(3)11/h10,12H,2,4-7H2,1,3H3.
What are the key properties of 4-hydroxy-3-methylidenenonan-2-one?
4-hydroxy-3-methylidenenonan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methylidenenonan-2-one is sourced from PubChem (CID 11457923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).