5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne

C12H18O3 — CID 87556291

IUPAC5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne
SMILESC#CCCC(OC)OC(CCC#C)OC
InChIInChI=1S/C12H18O3/c1-5-7-9-11(13-3)15-12(14-4)10-8-6-2/h1-2,11-12H,7-10H2,3-4H3
InChIKeyQHDKJIXJBPFSLK-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.77
Rot. Bonds8

About 5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne

5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne (PubChem CID 87556291) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne.

Molecular Properties

Compound Name5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne
PubChem CID87556291
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne
SMILESC#CCCC(OC)OC(CCC#C)OC
InChIInChI=1S/C12H18O3/c1-5-7-9-11(13-3)15-12(14-4)10-8-6-2/h1-2,11-12H,7-10H2,3-4H3
InChIKeyQHDKJIXJBPFSLK-UHFFFAOYSA-N
XLogP1.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne?
The IUPAC name of 5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne (CID 87556291) is 5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne.
What is the SMILES notation for 5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne?
The canonical SMILES for 5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne is C#CCCC(OC)OC(CCC#C)OC.
What is the InChIKey of 5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne?
The InChIKey is QHDKJIXJBPFSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-7-9-11(13-3)15-12(14-4)10-8-6-2/h1-2,11-12H,7-10H2,3-4H3.
What are the key properties of 5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne?
5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne has a molecular weight of 210.27 g/mol, XLogP of 1.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-(1-methoxypent-4-ynoxy)pent-1-yne is sourced from PubChem (CID 87556291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).