3-methyl-3-(4-methylpentoxymethyl)oxolane

C12H24O2 — CID 58781737

IUPAC3-methyl-3-(4-methylpentoxymethyl)oxolane
SMILESCC(C)CCCOCC1(C)CCOC1
InChIInChI=1S/C12H24O2/c1-11(2)5-4-7-13-9-12(3)6-8-14-10-12/h11H,4-10H2,1-3H3
InChIKeyISHOQAYHROPWPW-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.87
Rot. Bonds6

About 3-methyl-3-(4-methylpentoxymethyl)oxolane

3-methyl-3-(4-methylpentoxymethyl)oxolane (PubChem CID 58781737) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-methyl-3-(4-methylpentoxymethyl)oxolane.

Molecular Properties

Compound Name3-methyl-3-(4-methylpentoxymethyl)oxolane
PubChem CID58781737
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-methyl-3-(4-methylpentoxymethyl)oxolane
SMILESCC(C)CCCOCC1(C)CCOC1
InChIInChI=1S/C12H24O2/c1-11(2)5-4-7-13-9-12(3)6-8-14-10-12/h11H,4-10H2,1-3H3
InChIKeyISHOQAYHROPWPW-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-methylpentoxymethyl)oxolane?
The IUPAC name of 3-methyl-3-(4-methylpentoxymethyl)oxolane (CID 58781737) is 3-methyl-3-(4-methylpentoxymethyl)oxolane.
What is the SMILES notation for 3-methyl-3-(4-methylpentoxymethyl)oxolane?
The canonical SMILES for 3-methyl-3-(4-methylpentoxymethyl)oxolane is CC(C)CCCOCC1(C)CCOC1.
What is the InChIKey of 3-methyl-3-(4-methylpentoxymethyl)oxolane?
The InChIKey is ISHOQAYHROPWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2)5-4-7-13-9-12(3)6-8-14-10-12/h11H,4-10H2,1-3H3.
What are the key properties of 3-methyl-3-(4-methylpentoxymethyl)oxolane?
3-methyl-3-(4-methylpentoxymethyl)oxolane has a molecular weight of 200.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-methylpentoxymethyl)oxolane is sourced from PubChem (CID 58781737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).