2-methyloxolane;oxolane

C9H18O2 — CID 69253648

IUPAC2-methyloxolane;oxolane
SMILESC1CCOC1.CC1CCCO1
InChIInChI=1S/C5H10O.C4H8O/c1-5-3-2-4-6-5;1-2-4-5-3-1/h5H,2-4H2,1H3;1-4H2
InChIKeySEVJPUCSGHXXFV-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds

About 2-methyloxolane;oxolane

2-methyloxolane;oxolane (PubChem CID 69253648) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methyloxolane;oxolane.

Molecular Properties

Compound Name2-methyloxolane;oxolane
PubChem CID69253648
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-methyloxolane;oxolane
SMILESC1CCOC1.CC1CCCO1
InChIInChI=1S/C5H10O.C4H8O/c1-5-3-2-4-6-5;1-2-4-5-3-1/h5H,2-4H2,1H3;1-4H2
InChIKeySEVJPUCSGHXXFV-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxolane;oxolane?
The IUPAC name of 2-methyloxolane;oxolane (CID 69253648) is 2-methyloxolane;oxolane.
What is the SMILES notation for 2-methyloxolane;oxolane?
The canonical SMILES for 2-methyloxolane;oxolane is C1CCOC1.CC1CCCO1.
What is the InChIKey of 2-methyloxolane;oxolane?
The InChIKey is SEVJPUCSGHXXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H8O/c1-5-3-2-4-6-5;1-2-4-5-3-1/h5H,2-4H2,1H3;1-4H2.
What are the key properties of 2-methyloxolane;oxolane?
2-methyloxolane;oxolane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxolane;oxolane is sourced from PubChem (CID 69253648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).