5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene

C14H20O — CID 118319086

IUPAC5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene
SMILESC=C(C)C1=C(C(=C)CC)C2(CCO2)CC1
InChIInChI=1S/C14H20O/c1-5-11(4)13-12(10(2)3)6-7-14(13)8-9-15-14/h2,4-9H2,1,3H3
InChIKeyWMMQNABTKLACDB-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.78
Rot. Bonds3

About 5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene

5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene (PubChem CID 118319086) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene.

Molecular Properties

Compound Name5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene
PubChem CID118319086
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene
SMILESC=C(C)C1=C(C(=C)CC)C2(CCO2)CC1
InChIInChI=1S/C14H20O/c1-5-11(4)13-12(10(2)3)6-7-14(13)8-9-15-14/h2,4-9H2,1,3H3
InChIKeyWMMQNABTKLACDB-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene?
The IUPAC name of 5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene (CID 118319086) is 5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene.
What is the SMILES notation for 5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene?
The canonical SMILES for 5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene is C=C(C)C1=C(C(=C)CC)C2(CCO2)CC1.
What is the InChIKey of 5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene?
The InChIKey is WMMQNABTKLACDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-11(4)13-12(10(2)3)6-7-14(13)8-9-15-14/h2,4-9H2,1,3H3.
What are the key properties of 5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene?
5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene has a molecular weight of 204.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-en-2-yl-6-prop-1-en-2-yl-1-oxaspiro[3.4]oct-5-ene is sourced from PubChem (CID 118319086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).