6-(2-methoxypropan-2-yloxy)hex-1-yne

C10H18O2 — CID 88653043

IUPAC6-(2-methoxypropan-2-yloxy)hex-1-yne
SMILESC#CCCCCOC(C)(C)OC
InChIInChI=1S/C10H18O2/c1-5-6-7-8-9-12-10(2,3)11-4/h1H,6-9H2,2-4H3
InChIKeyMXHVUKWRMNIJIX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds6

About 6-(2-methoxypropan-2-yloxy)hex-1-yne

6-(2-methoxypropan-2-yloxy)hex-1-yne (PubChem CID 88653043) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-(2-methoxypropan-2-yloxy)hex-1-yne.

Molecular Properties

Compound Name6-(2-methoxypropan-2-yloxy)hex-1-yne
PubChem CID88653043
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6-(2-methoxypropan-2-yloxy)hex-1-yne
SMILESC#CCCCCOC(C)(C)OC
InChIInChI=1S/C10H18O2/c1-5-6-7-8-9-12-10(2,3)11-4/h1H,6-9H2,2-4H3
InChIKeyMXHVUKWRMNIJIX-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.19
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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Related Compounds

10-(2-methoxypropan-2-yloxy)dec-1-yne
CID 13111880
11-[(2-methylpropan-2-yl)oxy]undec-1-yne
CID 15673920
tert-butyl-hexadec-15-ynoxy-dimethylsilane
CID 23073442
2-(2-iodoethoxy)-2-methoxypropane
CID 19858315
8-(ethoxymethoxy)oct-1-yne
CID 156529670
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
6-ethoxyhex-1-yne;hex-5-yn-1-ol
CID 158489724
11-hexoxyundec-1-yne
CID 89349998
9,9-dimethyldec-1-yne
CID 169300385
2-(dideuterio(113C)methylidene)-6-(2-methoxypropan-2-yloxy)hexan-1-ol
CID 10822120
tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
CID 158514976

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxypropan-2-yloxy)hex-1-yne?
The IUPAC name of 6-(2-methoxypropan-2-yloxy)hex-1-yne (CID 88653043) is 6-(2-methoxypropan-2-yloxy)hex-1-yne.
What is the SMILES notation for 6-(2-methoxypropan-2-yloxy)hex-1-yne?
The canonical SMILES for 6-(2-methoxypropan-2-yloxy)hex-1-yne is C#CCCCCOC(C)(C)OC.
What is the InChIKey of 6-(2-methoxypropan-2-yloxy)hex-1-yne?
The InChIKey is MXHVUKWRMNIJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-7-8-9-12-10(2,3)11-4/h1H,6-9H2,2-4H3.
What are the key properties of 6-(2-methoxypropan-2-yloxy)hex-1-yne?
6-(2-methoxypropan-2-yloxy)hex-1-yne has a molecular weight of 170.25 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxypropan-2-yloxy)hex-1-yne is sourced from PubChem (CID 88653043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).