10-(2-methoxypropan-2-yloxy)dec-1-yne

C14H26O2 — CID 13111880

IUPAC10-(2-methoxypropan-2-yloxy)dec-1-yne
SMILESC#CCCCCCCCCOC(C)(C)OC
InChIInChI=1S/C14H26O2/c1-5-6-7-8-9-10-11-12-13-16-14(2,3)15-4/h1H,6-13H2,2-4H3
InChIKeyUCECIBIOOVPMKF-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.75
Rot. Bonds10

About 10-(2-methoxypropan-2-yloxy)dec-1-yne

10-(2-methoxypropan-2-yloxy)dec-1-yne (PubChem CID 13111880) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 10-(2-methoxypropan-2-yloxy)dec-1-yne.

Molecular Properties

Compound Name10-(2-methoxypropan-2-yloxy)dec-1-yne
PubChem CID13111880
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name10-(2-methoxypropan-2-yloxy)dec-1-yne
SMILESC#CCCCCCCCCOC(C)(C)OC
InChIInChI=1S/C14H26O2/c1-5-6-7-8-9-10-11-12-13-16-14(2,3)15-4/h1H,6-13H2,2-4H3
InChIKeyUCECIBIOOVPMKF-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxypropan-2-yloxy)dec-1-yne?
The IUPAC name of 10-(2-methoxypropan-2-yloxy)dec-1-yne (CID 13111880) is 10-(2-methoxypropan-2-yloxy)dec-1-yne.
What is the SMILES notation for 10-(2-methoxypropan-2-yloxy)dec-1-yne?
The canonical SMILES for 10-(2-methoxypropan-2-yloxy)dec-1-yne is C#CCCCCCCCCOC(C)(C)OC.
What is the InChIKey of 10-(2-methoxypropan-2-yloxy)dec-1-yne?
The InChIKey is UCECIBIOOVPMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-6-7-8-9-10-11-12-13-16-14(2,3)15-4/h1H,6-13H2,2-4H3.
What are the key properties of 10-(2-methoxypropan-2-yloxy)dec-1-yne?
10-(2-methoxypropan-2-yloxy)dec-1-yne has a molecular weight of 226.36 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxypropan-2-yloxy)dec-1-yne is sourced from PubChem (CID 13111880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).