4-(2,2-dimethylbutyl)-2-methylideneoxolane

C11H20O — CID 58763812

IUPAC4-(2,2-dimethylbutyl)-2-methylideneoxolane
SMILESC=C1CC(CC(C)(C)CC)CO1
InChIInChI=1S/C11H20O/c1-5-11(3,4)7-10-6-9(2)12-8-10/h10H,2,5-8H2,1,3-4H3
InChIKeyVODGZUAOEIDTSS-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds3

About 4-(2,2-dimethylbutyl)-2-methylideneoxolane

4-(2,2-dimethylbutyl)-2-methylideneoxolane (PubChem CID 58763812) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-(2,2-dimethylbutyl)-2-methylideneoxolane.

Molecular Properties

Compound Name4-(2,2-dimethylbutyl)-2-methylideneoxolane
PubChem CID58763812
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-(2,2-dimethylbutyl)-2-methylideneoxolane
SMILESC=C1CC(CC(C)(C)CC)CO1
InChIInChI=1S/C11H20O/c1-5-11(3,4)7-10-6-9(2)12-8-10/h10H,2,5-8H2,1,3-4H3
InChIKeyVODGZUAOEIDTSS-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutyl)-2-methylideneoxolane?
The IUPAC name of 4-(2,2-dimethylbutyl)-2-methylideneoxolane (CID 58763812) is 4-(2,2-dimethylbutyl)-2-methylideneoxolane.
What is the SMILES notation for 4-(2,2-dimethylbutyl)-2-methylideneoxolane?
The canonical SMILES for 4-(2,2-dimethylbutyl)-2-methylideneoxolane is C=C1CC(CC(C)(C)CC)CO1.
What is the InChIKey of 4-(2,2-dimethylbutyl)-2-methylideneoxolane?
The InChIKey is VODGZUAOEIDTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-11(3,4)7-10-6-9(2)12-8-10/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 4-(2,2-dimethylbutyl)-2-methylideneoxolane?
4-(2,2-dimethylbutyl)-2-methylideneoxolane has a molecular weight of 168.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutyl)-2-methylideneoxolane is sourced from PubChem (CID 58763812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).