(2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene

C12H26O4 — CID 87400955

IUPAC(2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene
SMILESC=CC.COCCOC[C@H](C)OCCOC
InChIInChI=1S/C9H20O4.C3H6/c1-9(13-7-5-11-3)8-12-6-4-10-2;1-3-2/h9H,4-8H2,1-3H3;3H,1H2,2H3/t9-;/m0./s1
InChIKeyUMZRPAMOUXJYID-FVGYRXGTSA-N
MW234.34 g/mol
LogP1.89
Rot. Bonds9

About (2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene

(2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene (PubChem CID 87400955) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene.

Molecular Properties

Compound Name(2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene
PubChem CID87400955
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name(2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene
SMILESC=CC.COCCOC[C@H](C)OCCOC
InChIInChI=1S/C9H20O4.C3H6/c1-9(13-7-5-11-3)8-12-6-4-10-2;1-3-2/h9H,4-8H2,1-3H3;3H,1H2,2H3/t9-;/m0./s1
InChIKeyUMZRPAMOUXJYID-FVGYRXGTSA-N
XLogP1.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene?
The IUPAC name of (2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene (CID 87400955) is (2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene.
What is the SMILES notation for (2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene?
The canonical SMILES for (2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene is C=CC.COCCOC[C@H](C)OCCOC.
What is the InChIKey of (2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene?
The InChIKey is UMZRPAMOUXJYID-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H20O4.C3H6/c1-9(13-7-5-11-3)8-12-6-4-10-2;1-3-2/h9H,4-8H2,1-3H3;3H,1H2,2H3/t9-;/m0./s1.
What are the key properties of (2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene?
(2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene has a molecular weight of 234.34 g/mol, XLogP of 1.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-bis(2-methoxyethoxy)propane;prop-1-ene is sourced from PubChem (CID 87400955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).