4-hydroxy-3-methylidenedecan-2-one

C11H20O2 — CID 12556266

IUPAC4-hydroxy-3-methylidenedecan-2-one
SMILESC=C(C(C)=O)C(O)CCCCCC
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-11(13)9(2)10(3)12/h11,13H,2,4-8H2,1,3H3
InChIKeyIBEPNERQTVUGKY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.46
Rot. Bonds7

About 4-hydroxy-3-methylidenedecan-2-one

4-hydroxy-3-methylidenedecan-2-one (PubChem CID 12556266) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-hydroxy-3-methylidenedecan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methylidenedecan-2-one
PubChem CID12556266
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-hydroxy-3-methylidenedecan-2-one
SMILESC=C(C(C)=O)C(O)CCCCCC
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-11(13)9(2)10(3)12/h11,13H,2,4-8H2,1,3H3
InChIKeyIBEPNERQTVUGKY-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methylidenedecan-2-one?
The IUPAC name of 4-hydroxy-3-methylidenedecan-2-one (CID 12556266) is 4-hydroxy-3-methylidenedecan-2-one.
What is the SMILES notation for 4-hydroxy-3-methylidenedecan-2-one?
The canonical SMILES for 4-hydroxy-3-methylidenedecan-2-one is C=C(C(C)=O)C(O)CCCCCC.
What is the InChIKey of 4-hydroxy-3-methylidenedecan-2-one?
The InChIKey is IBEPNERQTVUGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-8-11(13)9(2)10(3)12/h11,13H,2,4-8H2,1,3H3.
What are the key properties of 4-hydroxy-3-methylidenedecan-2-one?
4-hydroxy-3-methylidenedecan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methylidenedecan-2-one is sourced from PubChem (CID 12556266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).