5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one

C15H24O2 — CID 123754967

IUPAC5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one
SMILESCC=C(C)C(=O)C(O)(C#CC(C)CC)CCC
InChIInChI=1S/C15H24O2/c1-6-10-15(17,11-9-12(4)7-2)14(16)13(5)8-3/h8,12,17H,6-7,10H2,1-5H3
InChIKeySHTUKSOYWNNCLE-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.10
Rot. Bonds5

About 5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one

5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one (PubChem CID 123754967) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one.

Molecular Properties

Compound Name5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one
PubChem CID123754967
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one
SMILESCC=C(C)C(=O)C(O)(C#CC(C)CC)CCC
InChIInChI=1S/C15H24O2/c1-6-10-15(17,11-9-12(4)7-2)14(16)13(5)8-3/h8,12,17H,6-7,10H2,1-5H3
InChIKeySHTUKSOYWNNCLE-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one?
The IUPAC name of 5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one (CID 123754967) is 5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one.
What is the SMILES notation for 5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one?
The canonical SMILES for 5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one is CC=C(C)C(=O)C(O)(C#CC(C)CC)CCC.
What is the InChIKey of 5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one?
The InChIKey is SHTUKSOYWNNCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-10-15(17,11-9-12(4)7-2)14(16)13(5)8-3/h8,12,17H,6-7,10H2,1-5H3.
What are the key properties of 5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one?
5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one has a molecular weight of 236.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,8-dimethyl-5-propyldec-2-en-6-yn-4-one is sourced from PubChem (CID 123754967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).