1-methoxy-2-(2-prop-1-ynoxypropoxy)propane

C10H18O3 — CID 89303603

IUPAC1-methoxy-2-(2-prop-1-ynoxypropoxy)propane
SMILESCC#COC(C)COC(C)COC
InChIInChI=1S/C10H18O3/c1-5-6-12-10(3)8-13-9(2)7-11-4/h9-10H,7-8H2,1-4H3
InChIKeySMNZEHIKAWTUME-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.42
Rot. Bonds6

About 1-methoxy-2-(2-prop-1-ynoxypropoxy)propane

1-methoxy-2-(2-prop-1-ynoxypropoxy)propane (PubChem CID 89303603) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-methoxy-2-(2-prop-1-ynoxypropoxy)propane.

Molecular Properties

Compound Name1-methoxy-2-(2-prop-1-ynoxypropoxy)propane
PubChem CID89303603
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-methoxy-2-(2-prop-1-ynoxypropoxy)propane
SMILESCC#COC(C)COC(C)COC
InChIInChI=1S/C10H18O3/c1-5-6-12-10(3)8-13-9(2)7-11-4/h9-10H,7-8H2,1-4H3
InChIKeySMNZEHIKAWTUME-UHFFFAOYSA-N
XLogP1.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840
5-(1-methoxypropan-2-yloxy)pent-2-yne
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CID 140766822
CID 162272100
CID 162272100
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-methoxy-2-(2-methoxypropoxy)propane;pentane
CID 118376955
1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-(2-methoxypropoxy)propane
CID 158788669
2-(chloromethoxy)-1-methoxypropane
CID 79529090
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
2-(2-hydroxyethoxy)ethanol;1-methoxy-2-(2-methoxypropoxy)propane
CID 175459018

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-prop-1-ynoxypropoxy)propane?
The IUPAC name of 1-methoxy-2-(2-prop-1-ynoxypropoxy)propane (CID 89303603) is 1-methoxy-2-(2-prop-1-ynoxypropoxy)propane.
What is the SMILES notation for 1-methoxy-2-(2-prop-1-ynoxypropoxy)propane?
The canonical SMILES for 1-methoxy-2-(2-prop-1-ynoxypropoxy)propane is CC#COC(C)COC(C)COC.
What is the InChIKey of 1-methoxy-2-(2-prop-1-ynoxypropoxy)propane?
The InChIKey is SMNZEHIKAWTUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-6-12-10(3)8-13-9(2)7-11-4/h9-10H,7-8H2,1-4H3.
What are the key properties of 1-methoxy-2-(2-prop-1-ynoxypropoxy)propane?
1-methoxy-2-(2-prop-1-ynoxypropoxy)propane has a molecular weight of 186.25 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-prop-1-ynoxypropoxy)propane is sourced from PubChem (CID 89303603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).