(5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate

C13H22O4 — CID 175388665

IUPAC(5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate
SMILESC=CC1(C)CCC(OC(=O)OC(C)C(C)C)O1
InChIInChI=1S/C13H22O4/c1-6-13(5)8-7-11(17-13)16-12(14)15-10(4)9(2)3/h6,9-11H,1,7-8H2,2-5H3
InChIKeyWOSZWBKCRRQDTB-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.27
Rot. Bonds4

About (5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate

(5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate (PubChem CID 175388665) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate.

Molecular Properties

Compound Name(5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate
PubChem CID175388665
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate
SMILESC=CC1(C)CCC(OC(=O)OC(C)C(C)C)O1
InChIInChI=1S/C13H22O4/c1-6-13(5)8-7-11(17-13)16-12(14)15-10(4)9(2)3/h6,9-11H,1,7-8H2,2-5H3
InChIKeyWOSZWBKCRRQDTB-UHFFFAOYSA-N
XLogP3.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate?
The IUPAC name of (5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate (CID 175388665) is (5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate.
What is the SMILES notation for (5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate?
The canonical SMILES for (5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate is C=CC1(C)CCC(OC(=O)OC(C)C(C)C)O1.
What is the InChIKey of (5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate?
The InChIKey is WOSZWBKCRRQDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-6-13(5)8-7-11(17-13)16-12(14)15-10(4)9(2)3/h6,9-11H,1,7-8H2,2-5H3.
What are the key properties of (5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate?
(5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate has a molecular weight of 242.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate is sourced from PubChem (CID 175388665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).