5-methoxy-2,2-dimethyldec-3-yne-1,9-diol

C13H24O3 — CID 73333009

IUPAC5-methoxy-2,2-dimethyldec-3-yne-1,9-diol
SMILESCOC(C#CC(C)(C)CO)CCCC(C)O
InChIInChI=1S/C13H24O3/c1-11(15)6-5-7-12(16-4)8-9-13(2,3)10-14/h11-12,14-15H,5-7,10H2,1-4H3
InChIKeyJMZAREJLZQVHTP-UHFFFAOYSA-N
MW228.33 g/mol
LogP1.57
Rot. Bonds6

About 5-methoxy-2,2-dimethyldec-3-yne-1,9-diol

5-methoxy-2,2-dimethyldec-3-yne-1,9-diol (PubChem CID 73333009) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyldec-3-yne-1,9-diol.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyldec-3-yne-1,9-diol
PubChem CID73333009
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name5-methoxy-2,2-dimethyldec-3-yne-1,9-diol
SMILESCOC(C#CC(C)(C)CO)CCCC(C)O
InChIInChI=1S/C13H24O3/c1-11(15)6-5-7-12(16-4)8-9-13(2,3)10-14/h11-12,14-15H,5-7,10H2,1-4H3
InChIKeyJMZAREJLZQVHTP-UHFFFAOYSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyldec-3-yne-1,9-diol?
The IUPAC name of 5-methoxy-2,2-dimethyldec-3-yne-1,9-diol (CID 73333009) is 5-methoxy-2,2-dimethyldec-3-yne-1,9-diol.
What is the SMILES notation for 5-methoxy-2,2-dimethyldec-3-yne-1,9-diol?
The canonical SMILES for 5-methoxy-2,2-dimethyldec-3-yne-1,9-diol is COC(C#CC(C)(C)CO)CCCC(C)O.
What is the InChIKey of 5-methoxy-2,2-dimethyldec-3-yne-1,9-diol?
The InChIKey is JMZAREJLZQVHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-11(15)6-5-7-12(16-4)8-9-13(2,3)10-14/h11-12,14-15H,5-7,10H2,1-4H3.
What are the key properties of 5-methoxy-2,2-dimethyldec-3-yne-1,9-diol?
5-methoxy-2,2-dimethyldec-3-yne-1,9-diol has a molecular weight of 228.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethyldec-3-yne-1,9-diol is sourced from PubChem (CID 73333009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).