5-methoxy-1,2-bis(2-methoxyethoxy)pentane

C12H26O5 — CID 20641940

IUPAC5-methoxy-1,2-bis(2-methoxyethoxy)pentane
SMILESCOCCCC(COCCOC)OCCOC
InChIInChI=1S/C12H26O5/c1-13-6-4-5-12(17-10-8-15-3)11-16-9-7-14-2/h12H,4-11H2,1-3H3
InChIKeyVQGLCVZMKNXUFH-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.11
Rot. Bonds13

About 5-methoxy-1,2-bis(2-methoxyethoxy)pentane

5-methoxy-1,2-bis(2-methoxyethoxy)pentane (PubChem CID 20641940) has the molecular formula C12H26O5 and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-methoxy-1,2-bis(2-methoxyethoxy)pentane.

Molecular Properties

Compound Name5-methoxy-1,2-bis(2-methoxyethoxy)pentane
PubChem CID20641940
Molecular FormulaC12H26O5
Molecular Weight250.33 g/mol
Exact Mass250.18
IUPAC Name5-methoxy-1,2-bis(2-methoxyethoxy)pentane
SMILESCOCCCC(COCCOC)OCCOC
InChIInChI=1S/C12H26O5/c1-13-6-4-5-12(17-10-8-15-3)11-16-9-7-14-2/h12H,4-11H2,1-3H3
InChIKeyVQGLCVZMKNXUFH-UHFFFAOYSA-N
XLogP1.11
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-Diacetyloxypentyl acetate
CID 231561
2-(Butoxymethyl)tetrahydrofuran
CID 4581212
Permethylsorbitol
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1,4-Anhydro-2,3,5-tri-O-methyl-D-ribitol
CID 6428066
3,4-Dimethoxy-2-(methoxymethyl)oxolane
CID 526629
Arabitol permethyl
CID 529415
L-Sorbitol permethyl
CID 529421
Tetrahydrofurfuryl isopropyl ether
CID 13763952
1,5-Bis(isopropoxy)pentane
CID 57689220
L-Fucitol permethyl
CID 529418
(2S,4R)-1,2,3,4,5-pentamethoxypentane
CID 90120509
(2R,3R,4R,5R)-1,2,3,4,5,6-hexamethoxyhexane
CID 90327965

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-bis(2-methoxyethoxy)pentane?
The IUPAC name of 5-methoxy-1,2-bis(2-methoxyethoxy)pentane (CID 20641940) is 5-methoxy-1,2-bis(2-methoxyethoxy)pentane.
What is the SMILES notation for 5-methoxy-1,2-bis(2-methoxyethoxy)pentane?
The canonical SMILES for 5-methoxy-1,2-bis(2-methoxyethoxy)pentane is COCCCC(COCCOC)OCCOC.
What is the InChIKey of 5-methoxy-1,2-bis(2-methoxyethoxy)pentane?
The InChIKey is VQGLCVZMKNXUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5/c1-13-6-4-5-12(17-10-8-15-3)11-16-9-7-14-2/h12H,4-11H2,1-3H3.
What are the key properties of 5-methoxy-1,2-bis(2-methoxyethoxy)pentane?
5-methoxy-1,2-bis(2-methoxyethoxy)pentane has a molecular weight of 250.33 g/mol, XLogP of 1.11, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-bis(2-methoxyethoxy)pentane is sourced from PubChem (CID 20641940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).