6,10-dimethylundec-9-en-4-yne-3,6-diol

C13H22O2 — CID 2832771

IUPAC6,10-dimethylundec-9-en-4-yne-3,6-diol
SMILESCCC(O)C#CC(C)(O)CCC=C(C)C
InChIInChI=1S/C13H22O2/c1-5-12(14)8-10-13(4,15)9-6-7-11(2)3/h7,12,14-15H,5-6,9H2,1-4H3
InChIKeyMFUMAMONCVKBLU-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.26
Rot. Bonds4

About 6,10-dimethylundec-9-en-4-yne-3,6-diol

6,10-dimethylundec-9-en-4-yne-3,6-diol (PubChem CID 2832771) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 6,10-dimethylundec-9-en-4-yne-3,6-diol.

Molecular Properties

Compound Name6,10-dimethylundec-9-en-4-yne-3,6-diol
PubChem CID2832771
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name6,10-dimethylundec-9-en-4-yne-3,6-diol
SMILESCCC(O)C#CC(C)(O)CCC=C(C)C
InChIInChI=1S/C13H22O2/c1-5-12(14)8-10-13(4,15)9-6-7-11(2)3/h7,12,14-15H,5-6,9H2,1-4H3
InChIKeyMFUMAMONCVKBLU-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethylundec-9-en-4-yne-3,6-diol?
The IUPAC name of 6,10-dimethylundec-9-en-4-yne-3,6-diol (CID 2832771) is 6,10-dimethylundec-9-en-4-yne-3,6-diol.
What is the SMILES notation for 6,10-dimethylundec-9-en-4-yne-3,6-diol?
The canonical SMILES for 6,10-dimethylundec-9-en-4-yne-3,6-diol is CCC(O)C#CC(C)(O)CCC=C(C)C.
What is the InChIKey of 6,10-dimethylundec-9-en-4-yne-3,6-diol?
The InChIKey is MFUMAMONCVKBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-12(14)8-10-13(4,15)9-6-7-11(2)3/h7,12,14-15H,5-6,9H2,1-4H3.
What are the key properties of 6,10-dimethylundec-9-en-4-yne-3,6-diol?
6,10-dimethylundec-9-en-4-yne-3,6-diol has a molecular weight of 210.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethylundec-9-en-4-yne-3,6-diol is sourced from PubChem (CID 2832771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).