11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione

C14H24O3 — CID 163099668

IUPAC11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione
SMILESCC(=O)CCC(C=CC(=O)CCCO)C(C)C
InChIInChI=1S/C14H24O3/c1-11(2)13(7-6-12(3)16)8-9-14(17)5-4-10-15/h8-9,11,13,15H,4-7,10H2,1-3H3
InChIKeyASCLICZKBLRYKI-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.53
Rot. Bonds9

About 11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione

11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione (PubChem CID 163099668) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione.

Molecular Properties

Compound Name11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione
PubChem CID163099668
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione
SMILESCC(=O)CCC(C=CC(=O)CCCO)C(C)C
InChIInChI=1S/C14H24O3/c1-11(2)13(7-6-12(3)16)8-9-14(17)5-4-10-15/h8-9,11,13,15H,4-7,10H2,1-3H3
InChIKeyASCLICZKBLRYKI-UHFFFAOYSA-N
XLogP2.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione?
The IUPAC name of 11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione (CID 163099668) is 11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione.
What is the SMILES notation for 11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione?
The canonical SMILES for 11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione is CC(=O)CCC(C=CC(=O)CCCO)C(C)C.
What is the InChIKey of 11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione?
The InChIKey is ASCLICZKBLRYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11(2)13(7-6-12(3)16)8-9-14(17)5-4-10-15/h8-9,11,13,15H,4-7,10H2,1-3H3.
What are the key properties of 11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione?
11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione has a molecular weight of 240.34 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione is sourced from PubChem (CID 163099668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).