2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate

C18H41NO5 — CID 90913901

IUPAC2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate
SMILESCC(=O)OC(C)C.CN=C(C)C.COC(C)(C)OC.COC(C)C
InChIInChI=1S/C5H12O2.C5H10O2.C4H9N.C4H10O/c1-5(2,6-3)7-4;1-4(2)7-5(3)6;2*1-4(2)5-3/h1-4H3;4H,1-3H3;1-3H3;4H,1-3H3
InChIKeyUTQCBXRIEUJCNK-UHFFFAOYSA-N
MW351.53 g/mol
LogP4.11
Rot. Bonds4

About 2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate

2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate (PubChem CID 90913901) has the molecular formula C18H41NO5 and a molecular weight of 351.53 g/mol. Its IUPAC name is 2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate.

Molecular Properties

Compound Name2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate
PubChem CID90913901
Molecular FormulaC18H41NO5
Molecular Weight351.53 g/mol
Exact Mass351.30
IUPAC Name2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate
SMILESCC(=O)OC(C)C.CN=C(C)C.COC(C)(C)OC.COC(C)C
InChIInChI=1S/C5H12O2.C5H10O2.C4H9N.C4H10O/c1-5(2,6-3)7-4;1-4(2)7-5(3)6;2*1-4(2)5-3/h1-4H3;4H,1-3H3;1-3H3;4H,1-3H3
InChIKeyUTQCBXRIEUJCNK-UHFFFAOYSA-N
XLogP4.11
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate?
The IUPAC name of 2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate (CID 90913901) is 2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate.
What is the SMILES notation for 2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate?
The canonical SMILES for 2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate is CC(=O)OC(C)C.CN=C(C)C.COC(C)(C)OC.COC(C)C.
What is the InChIKey of 2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate?
The InChIKey is UTQCBXRIEUJCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C5H10O2.C4H9N.C4H10O/c1-5(2,6-3)7-4;1-4(2)7-5(3)6;2*1-4(2)5-3/h1-4H3;4H,1-3H3;1-3H3;4H,1-3H3.
What are the key properties of 2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate?
2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate has a molecular weight of 351.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropane;2-methoxypropane;N-methylpropan-2-imine;propan-2-yl acetate is sourced from PubChem (CID 90913901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).