10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione

C12H22O4 — CID 91522877

IUPAC10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione
SMILESCC(=O)CC(CCO)CC(=O)CCCCO
InChIInChI=1S/C12H22O4/c1-10(15)8-11(5-7-14)9-12(16)4-2-3-6-13/h11,13-14H,2-9H2,1H3
InChIKeyCPLYKGGQRWGFEJ-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.09
Rot. Bonds10

About 10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione

10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione (PubChem CID 91522877) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione.

Molecular Properties

Compound Name10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione
PubChem CID91522877
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione
SMILESCC(=O)CC(CCO)CC(=O)CCCCO
InChIInChI=1S/C12H22O4/c1-10(15)8-11(5-7-14)9-12(16)4-2-3-6-13/h11,13-14H,2-9H2,1H3
InChIKeyCPLYKGGQRWGFEJ-UHFFFAOYSA-N
XLogP1.09
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione?
The IUPAC name of 10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione (CID 91522877) is 10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione.
What is the SMILES notation for 10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione?
The canonical SMILES for 10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione is CC(=O)CC(CCO)CC(=O)CCCCO.
What is the InChIKey of 10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione?
The InChIKey is CPLYKGGQRWGFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-10(15)8-11(5-7-14)9-12(16)4-2-3-6-13/h11,13-14H,2-9H2,1H3.
What are the key properties of 10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione?
10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione has a molecular weight of 230.30 g/mol, XLogP of 1.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-4-(2-hydroxyethyl)decane-2,6-dione is sourced from PubChem (CID 91522877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).