3-methyl-3-(1-propoxybutyl)oxolane

C12H24O2 — CID 13306884

IUPAC3-methyl-3-(1-propoxybutyl)oxolane
SMILESCCCOC(CCC)C1(C)CCOC1
InChIInChI=1S/C12H24O2/c1-4-6-11(14-8-5-2)12(3)7-9-13-10-12/h11H,4-10H2,1-3H3
InChIKeyHCMFCFBTCPGVMA-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.01
Rot. Bonds6

About 3-methyl-3-(1-propoxybutyl)oxolane

3-methyl-3-(1-propoxybutyl)oxolane (PubChem CID 13306884) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-methyl-3-(1-propoxybutyl)oxolane.

Molecular Properties

Compound Name3-methyl-3-(1-propoxybutyl)oxolane
PubChem CID13306884
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-methyl-3-(1-propoxybutyl)oxolane
SMILESCCCOC(CCC)C1(C)CCOC1
InChIInChI=1S/C12H24O2/c1-4-6-11(14-8-5-2)12(3)7-9-13-10-12/h11H,4-10H2,1-3H3
InChIKeyHCMFCFBTCPGVMA-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-propoxybutyl)oxolane?
The IUPAC name of 3-methyl-3-(1-propoxybutyl)oxolane (CID 13306884) is 3-methyl-3-(1-propoxybutyl)oxolane.
What is the SMILES notation for 3-methyl-3-(1-propoxybutyl)oxolane?
The canonical SMILES for 3-methyl-3-(1-propoxybutyl)oxolane is CCCOC(CCC)C1(C)CCOC1.
What is the InChIKey of 3-methyl-3-(1-propoxybutyl)oxolane?
The InChIKey is HCMFCFBTCPGVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-6-11(14-8-5-2)12(3)7-9-13-10-12/h11H,4-10H2,1-3H3.
What are the key properties of 3-methyl-3-(1-propoxybutyl)oxolane?
3-methyl-3-(1-propoxybutyl)oxolane has a molecular weight of 200.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-propoxybutyl)oxolane is sourced from PubChem (CID 13306884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).