3-tert-butyl-5-prop-2-enyldioxolane

C10H18O2 — CID 155146203

IUPAC3-tert-butyl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C(C)(C)C)OO1
InChIInChI=1S/C10H18O2/c1-5-6-8-7-9(12-11-8)10(2,3)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyNHJGXDPRGLUHPF-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.70
Rot. Bonds2

About 3-tert-butyl-5-prop-2-enyldioxolane

3-tert-butyl-5-prop-2-enyldioxolane (PubChem CID 155146203) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-tert-butyl-5-prop-2-enyldioxolane.

Molecular Properties

Compound Name3-tert-butyl-5-prop-2-enyldioxolane
PubChem CID155146203
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-tert-butyl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C(C)(C)C)OO1
InChIInChI=1S/C10H18O2/c1-5-6-8-7-9(12-11-8)10(2,3)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyNHJGXDPRGLUHPF-UHFFFAOYSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-prop-2-enyldioxolane?
The IUPAC name of 3-tert-butyl-5-prop-2-enyldioxolane (CID 155146203) is 3-tert-butyl-5-prop-2-enyldioxolane.
What is the SMILES notation for 3-tert-butyl-5-prop-2-enyldioxolane?
The canonical SMILES for 3-tert-butyl-5-prop-2-enyldioxolane is C=CCC1CC(C(C)(C)C)OO1.
What is the InChIKey of 3-tert-butyl-5-prop-2-enyldioxolane?
The InChIKey is NHJGXDPRGLUHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-8-7-9(12-11-8)10(2,3)4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 3-tert-butyl-5-prop-2-enyldioxolane?
3-tert-butyl-5-prop-2-enyldioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-prop-2-enyldioxolane is sourced from PubChem (CID 155146203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).