3-methyl-4-pentoxyoxolane

C10H20O2 — CID 167227502

IUPAC3-methyl-4-pentoxyoxolane
SMILESCCCCCOC1COCC1C
InChIInChI=1S/C10H20O2/c1-3-4-5-6-12-10-8-11-7-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyJMKLIJCKPOWSGC-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds5

About 3-methyl-4-pentoxyoxolane

3-methyl-4-pentoxyoxolane (PubChem CID 167227502) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methyl-4-pentoxyoxolane.

Molecular Properties

Compound Name3-methyl-4-pentoxyoxolane
PubChem CID167227502
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-methyl-4-pentoxyoxolane
SMILESCCCCCOC1COCC1C
InChIInChI=1S/C10H20O2/c1-3-4-5-6-12-10-8-11-7-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyJMKLIJCKPOWSGC-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-Fluoro-3-methylcyclobutyl)methoxy]oxolane
CID 139336531
2-Methyloxolane;3-methyloxolane
CID 19802292
3-(2-Methylpropoxy)oxolane
CID 59855800
2-(3-Methylbutan-2-yloxymethyl)oxolane
CID 77457674
3-(Ethoxymethyl)-2-methyloxolane
CID 89027484
3-(3-Methylpentan-3-yloxy)oxolane
CID 91260669
2-(2,4-Dimethylpentoxymethyl)oxirane
CID 123256682
3-Ethyl-2-(methoxymethyl)oxolane
CID 140191019
3-Methoxy-3-propan-2-yloxolane
CID 142588010
4-Methoxy-2,2-dimethyloxolane
CID 142607687
4-Methoxy-2,4-dimethyloxolane
CID 143260642
2-(3-Methylbutoxymethyl)oxolane
CID 144332395

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pentoxyoxolane?
The IUPAC name of 3-methyl-4-pentoxyoxolane (CID 167227502) is 3-methyl-4-pentoxyoxolane.
What is the SMILES notation for 3-methyl-4-pentoxyoxolane?
The canonical SMILES for 3-methyl-4-pentoxyoxolane is CCCCCOC1COCC1C.
What is the InChIKey of 3-methyl-4-pentoxyoxolane?
The InChIKey is JMKLIJCKPOWSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-6-12-10-8-11-7-9(10)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-methyl-4-pentoxyoxolane?
3-methyl-4-pentoxyoxolane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pentoxyoxolane is sourced from PubChem (CID 167227502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).