methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane

C11H26O3 — CID 158972079

IUPACmethane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane
SMILESC.C.C=CCOCC(C)OCCOC
InChIInChI=1S/C9H18O3.2CH4/c1-4-5-11-8-9(2)12-7-6-10-3;;/h4,9H,1,5-8H2,2-3H3;2*1H4
InChIKeyJNYASGHXSUMQQZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.51
Rot. Bonds8

About methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane

methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane (PubChem CID 158972079) has the molecular formula C11H26O3 and a molecular weight of 206.33 g/mol. Its IUPAC name is methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane.

Molecular Properties

Compound Namemethane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane
PubChem CID158972079
Molecular FormulaC11H26O3
Molecular Weight206.33 g/mol
Exact Mass206.19
IUPAC Namemethane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane
SMILESC.C.C=CCOCC(C)OCCOC
InChIInChI=1S/C9H18O3.2CH4/c1-4-5-11-8-9(2)12-7-6-10-3;;/h4,9H,1,5-8H2,2-3H3;2*1H4
InChIKeyJNYASGHXSUMQQZ-UHFFFAOYSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
CID 525169
1-methoxy-2-(1-methoxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropane
CID 22498090
(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane
CID 172636483
9-(2-non-8-enoxypropoxy)non-1-ene
CID 168985455
ethane;2-(2-methoxyethoxy)butane
CID 168922397
2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
CID 135130322
4-(2-methoxyethoxy)pentan-2-ol
CID 64721506
1-[1-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]-2-methylpropane
CID 118672569
1-O-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yl] 2-O-[1-(1-prop-2-enoyloxypropan-2-yloxy)propan-2-yl] oxalate
CID 146180705
2-methoxy-1-[2-[2-[2-[2-[2-[1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]propoxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 58150754
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565

Frequently Asked Questions

What is the IUPAC name of methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane?
The IUPAC name of methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane (CID 158972079) is methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane.
What is the SMILES notation for methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane?
The canonical SMILES for methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane is C.C.C=CCOCC(C)OCCOC.
What is the InChIKey of methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane?
The InChIKey is JNYASGHXSUMQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3.2CH4/c1-4-5-11-8-9(2)12-7-6-10-3;;/h4,9H,1,5-8H2,2-3H3;2*1H4.
What are the key properties of methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane?
methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane has a molecular weight of 206.33 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane is sourced from PubChem (CID 158972079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).