3-methoxy-3-propan-2-yloxolane

C8H16O2 — CID 142588010

IUPAC3-methoxy-3-propan-2-yloxolane
SMILESCOC1(C(C)C)CCOC1
InChIInChI=1S/C8H16O2/c1-7(2)8(9-3)4-5-10-6-8/h7H,4-6H2,1-3H3
InChIKeyDCMOZWHCZRKDFS-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.45
Rot. Bonds2

About 3-methoxy-3-propan-2-yloxolane

3-methoxy-3-propan-2-yloxolane (PubChem CID 142588010) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-methoxy-3-propan-2-yloxolane.

Molecular Properties

Compound Name3-methoxy-3-propan-2-yloxolane
PubChem CID142588010
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-methoxy-3-propan-2-yloxolane
SMILESCOC1(C(C)C)CCOC1
InChIInChI=1S/C8H16O2/c1-7(2)8(9-3)4-5-10-6-8/h7H,4-6H2,1-3H3
InChIKeyDCMOZWHCZRKDFS-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-propan-2-yloxolane?
The IUPAC name of 3-methoxy-3-propan-2-yloxolane (CID 142588010) is 3-methoxy-3-propan-2-yloxolane.
What is the SMILES notation for 3-methoxy-3-propan-2-yloxolane?
The canonical SMILES for 3-methoxy-3-propan-2-yloxolane is COC1(C(C)C)CCOC1.
What is the InChIKey of 3-methoxy-3-propan-2-yloxolane?
The InChIKey is DCMOZWHCZRKDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)8(9-3)4-5-10-6-8/h7H,4-6H2,1-3H3.
What are the key properties of 3-methoxy-3-propan-2-yloxolane?
3-methoxy-3-propan-2-yloxolane has a molecular weight of 144.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-propan-2-yloxolane is sourced from PubChem (CID 142588010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).