4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole

C10H14O2 — CID 139322701

IUPAC4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole
SMILESC=CC1=C(/C=C/C(C)C)OCO1
InChIInChI=1S/C10H14O2/c1-4-9-10(12-7-11-9)6-5-8(2)3/h4-6,8H,1,7H2,2-3H3/b6-5+
InChIKeyYATLIHKVCVXCAW-AATRIKPKSA-N
MW166.22 g/mol
LogP2.60
Rot. Bonds3

About 4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole

4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole (PubChem CID 139322701) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole.

Molecular Properties

Compound Name4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole
PubChem CID139322701
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole
SMILESC=CC1=C(/C=C/C(C)C)OCO1
InChIInChI=1S/C10H14O2/c1-4-9-10(12-7-11-9)6-5-8(2)3/h4-6,8H,1,7H2,2-3H3/b6-5+
InChIKeyYATLIHKVCVXCAW-AATRIKPKSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole?
The IUPAC name of 4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole (CID 139322701) is 4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole.
What is the SMILES notation for 4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole?
The canonical SMILES for 4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole is C=CC1=C(/C=C/C(C)C)OCO1.
What is the InChIKey of 4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole?
The InChIKey is YATLIHKVCVXCAW-AATRIKPKSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-9-10(12-7-11-9)6-5-8(2)3/h4-6,8H,1,7H2,2-3H3/b6-5+.
What are the key properties of 4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole?
4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole has a molecular weight of 166.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole is sourced from PubChem (CID 139322701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).