2-(2,2-dimethylpropyl)oxolane

C9H18O — CID 21304846

IUPAC2-(2,2-dimethylpropyl)oxolane
SMILESCC(C)(C)CC1CCCO1
InChIInChI=1S/C9H18O/c1-9(2,3)7-8-5-4-6-10-8/h8H,4-7H2,1-3H3
InChIKeySZCZOVFEZGIVPE-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds1

About 2-(2,2-dimethylpropyl)oxolane

2-(2,2-dimethylpropyl)oxolane (PubChem CID 21304846) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)oxolane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)oxolane
PubChem CID21304846
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-(2,2-dimethylpropyl)oxolane
SMILESCC(C)(C)CC1CCCO1
InChIInChI=1S/C9H18O/c1-9(2,3)7-8-5-4-6-10-8/h8H,4-7H2,1-3H3
InChIKeySZCZOVFEZGIVPE-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)oxolane?
The IUPAC name of 2-(2,2-dimethylpropyl)oxolane (CID 21304846) is 2-(2,2-dimethylpropyl)oxolane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)oxolane?
The canonical SMILES for 2-(2,2-dimethylpropyl)oxolane is CC(C)(C)CC1CCCO1.
What is the InChIKey of 2-(2,2-dimethylpropyl)oxolane?
The InChIKey is SZCZOVFEZGIVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-9(2,3)7-8-5-4-6-10-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)oxolane?
2-(2,2-dimethylpropyl)oxolane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)oxolane is sourced from PubChem (CID 21304846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).