2,4,4-trimethyloxolane

C7H14O — CID 57266564

IUPAC2,4,4-trimethyloxolane
SMILESCC1CC(C)(C)CO1
InChIInChI=1S/C7H14O/c1-6-4-7(2,3)5-8-6/h6H,4-5H2,1-3H3
InChIKeyRSUGVWXPNOYLKS-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds

About 2,4,4-trimethyloxolane

2,4,4-trimethyloxolane (PubChem CID 57266564) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2,4,4-trimethyloxolane.

Molecular Properties

Compound Name2,4,4-trimethyloxolane
PubChem CID57266564
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2,4,4-trimethyloxolane
SMILESCC1CC(C)(C)CO1
InChIInChI=1S/C7H14O/c1-6-4-7(2,3)5-8-6/h6H,4-5H2,1-3H3
InChIKeyRSUGVWXPNOYLKS-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyloxolane?
The IUPAC name of 2,4,4-trimethyloxolane (CID 57266564) is 2,4,4-trimethyloxolane.
What is the SMILES notation for 2,4,4-trimethyloxolane?
The canonical SMILES for 2,4,4-trimethyloxolane is CC1CC(C)(C)CO1.
What is the InChIKey of 2,4,4-trimethyloxolane?
The InChIKey is RSUGVWXPNOYLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-6-4-7(2,3)5-8-6/h6H,4-5H2,1-3H3.
What are the key properties of 2,4,4-trimethyloxolane?
2,4,4-trimethyloxolane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyloxolane is sourced from PubChem (CID 57266564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).