1,4-di(propan-2-yloxy)but-2-yne

C10H18O2 — CID 59470661

IUPAC1,4-di(propan-2-yloxy)but-2-yne
SMILESCC(C)OCC#CCOC(C)C
InChIInChI=1S/C10H18O2/c1-9(2)11-7-5-6-8-12-10(3)4/h9-10H,7-8H2,1-4H3
InChIKeyABJKLHKUONXFAD-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.84
Rot. Bonds4

About 1,4-di(propan-2-yloxy)but-2-yne

1,4-di(propan-2-yloxy)but-2-yne (PubChem CID 59470661) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1,4-di(propan-2-yloxy)but-2-yne.

Molecular Properties

Compound Name1,4-di(propan-2-yloxy)but-2-yne
PubChem CID59470661
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1,4-di(propan-2-yloxy)but-2-yne
SMILESCC(C)OCC#CCOC(C)C
InChIInChI=1S/C10H18O2/c1-9(2)11-7-5-6-8-12-10(3)4/h9-10H,7-8H2,1-4H3
InChIKeyABJKLHKUONXFAD-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yloxybut-2-yn-1-amine
CID 115011148
5-propan-2-yloxypent-3-ynal
CID 115011370
4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine
CID 159921747
1,1-bis(but-2-ynoxy)-2-methylpropane
CID 90242892
1-(1-methoxypropan-2-yloxy)pent-2-yne
CID 87214396
2-ethoxypropane;zinc
CID 174321747
ethane;2-methyl-1-propan-2-yloxybutane
CID 143253111
1-[(3-propan-2-yloxycyclobutyl)methyl]-3-(3-propan-2-yloxyprop-1-ynyl)bicyclo[1.1.1]pentane
CID 165380089
1-(2,2-dimethyl-1-oct-2-ynoxypropoxy)oct-2-yne
CID 169300331
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yloxy)but-2-yne?
The IUPAC name of 1,4-di(propan-2-yloxy)but-2-yne (CID 59470661) is 1,4-di(propan-2-yloxy)but-2-yne.
What is the SMILES notation for 1,4-di(propan-2-yloxy)but-2-yne?
The canonical SMILES for 1,4-di(propan-2-yloxy)but-2-yne is CC(C)OCC#CCOC(C)C.
What is the InChIKey of 1,4-di(propan-2-yloxy)but-2-yne?
The InChIKey is ABJKLHKUONXFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)11-7-5-6-8-12-10(3)4/h9-10H,7-8H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yloxy)but-2-yne?
1,4-di(propan-2-yloxy)but-2-yne has a molecular weight of 170.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yloxy)but-2-yne is sourced from PubChem (CID 59470661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).