1-methoxypentane;oxolane

C14H30O3 — CID 160798368

IUPAC1-methoxypentane;oxolane
SMILESC1CCOC1.C1CCOC1.CCCCCOC
InChIInChI=1S/C6H14O.2C4H8O/c1-3-4-5-6-7-2;2*1-2-4-5-3-1/h3-6H2,1-2H3;2*1-4H2
InChIKeySCSULMHPYAGOII-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.42
Rot. Bonds4

About 1-methoxypentane;oxolane

1-methoxypentane;oxolane (PubChem CID 160798368) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-methoxypentane;oxolane.

Molecular Properties

Compound Name1-methoxypentane;oxolane
PubChem CID160798368
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name1-methoxypentane;oxolane
SMILESC1CCOC1.C1CCOC1.CCCCCOC
InChIInChI=1S/C6H14O.2C4H8O/c1-3-4-5-6-7-2;2*1-2-4-5-3-1/h3-6H2,1-2H3;2*1-4H2
InChIKeySCSULMHPYAGOII-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxyhexacosane
CID 20780514
dichloromethane;hexane;oxolane
CID 19387301
azane;1-methoxydodecane
CID 174553670
ethoxyethane;heptane;oxolane
CID 86588588
1-butoxybutane;oxane
CID 22595543
1-methoxypentane;1,3-oxathiolane
CID 171083550
1,4-dioxane;1-pentoxypentane
CID 174356603
oxolane;tetrabutylazanium
CID 159740735
bis(ethane-1,2-diol);1-methoxyheptane
CID 91824258
1,4-dioxane;tetradecane
CID 159034856
1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane
CID 87702464
decan-1-ol;oxolane;hydrate
CID 174935070

Frequently Asked Questions

What is the IUPAC name of 1-methoxypentane;oxolane?
The IUPAC name of 1-methoxypentane;oxolane (CID 160798368) is 1-methoxypentane;oxolane.
What is the SMILES notation for 1-methoxypentane;oxolane?
The canonical SMILES for 1-methoxypentane;oxolane is C1CCOC1.C1CCOC1.CCCCCOC.
What is the InChIKey of 1-methoxypentane;oxolane?
The InChIKey is SCSULMHPYAGOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.2C4H8O/c1-3-4-5-6-7-2;2*1-2-4-5-3-1/h3-6H2,1-2H3;2*1-4H2.
What are the key properties of 1-methoxypentane;oxolane?
1-methoxypentane;oxolane has a molecular weight of 246.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypentane;oxolane is sourced from PubChem (CID 160798368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).