4-butan-2-yl-2,2-dimethyl-1,3-dioxolane

C9H18O2 — CID 58241344

IUPAC4-butan-2-yl-2,2-dimethyl-1,3-dioxolane
SMILESCCC(C)C1COC(C)(C)O1
InChIInChI=1S/C9H18O2/c1-5-7(2)8-6-10-9(3,4)11-8/h7-8H,5-6H2,1-4H3
InChIKeyVHBAXPCCUWENEL-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.18
Rot. Bonds2

About 4-butan-2-yl-2,2-dimethyl-1,3-dioxolane

4-butan-2-yl-2,2-dimethyl-1,3-dioxolane (PubChem CID 58241344) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-butan-2-yl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-butan-2-yl-2,2-dimethyl-1,3-dioxolane
PubChem CID58241344
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-butan-2-yl-2,2-dimethyl-1,3-dioxolane
SMILESCCC(C)C1COC(C)(C)O1
InChIInChI=1S/C9H18O2/c1-5-7(2)8-6-10-9(3,4)11-8/h7-8H,5-6H2,1-4H3
InChIKeyVHBAXPCCUWENEL-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-butan-2-yl-2,2-dimethyl-1,3-dioxolane (CID 58241344) is 4-butan-2-yl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-butan-2-yl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-butan-2-yl-2,2-dimethyl-1,3-dioxolane is CCC(C)C1COC(C)(C)O1.
What is the InChIKey of 4-butan-2-yl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is VHBAXPCCUWENEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-7(2)8-6-10-9(3,4)11-8/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-butan-2-yl-2,2-dimethyl-1,3-dioxolane?
4-butan-2-yl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 158.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 58241344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).