4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene

C12H18O — CID 102486324

IUPAC4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene
SMILESC=C(C)C1=CCOC12CCCCC2
InChIInChI=1S/C12H18O/c1-10(2)11-6-9-13-12(11)7-4-3-5-8-12/h6H,1,3-5,7-9H2,2H3
InChIKeyFKUJXSHAMWSZQY-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.22
Rot. Bonds1

About 4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene

4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene (PubChem CID 102486324) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene
PubChem CID102486324
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene
SMILESC=C(C)C1=CCOC12CCCCC2
InChIInChI=1S/C12H18O/c1-10(2)11-6-9-13-12(11)7-4-3-5-8-12/h6H,1,3-5,7-9H2,2H3
InChIKeyFKUJXSHAMWSZQY-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-oxaspiro[4.4]non-3-en-4-yl acetate
CID 102086973
methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
CID 46192660
2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane
CID 139750651
5-methyl-4-trimethylsilyl-2H-furan-5-carboxylic acid
CID 85423823
7-oxaspiro[5.6]dodec-9-en-5-one
CID 131481474
(6R)-7-oxaspiro[5.6]dodec-9-en-5-one
CID 125453613
6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol
CID 10515910
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
CID 102646988
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine
CID 79180082
3,4-bis(prop-1-en-2-yl)spiro[4.4]non-3-ene
CID 144594052
(2R,3S)-2-prop-1-en-2-ylspiro[3.5]nonan-3-ol
CID 102075660

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene?
The IUPAC name of 4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene (CID 102486324) is 4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for 4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene is C=C(C)C1=CCOC12CCCCC2.
What is the InChIKey of 4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene?
The InChIKey is FKUJXSHAMWSZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-10(2)11-6-9-13-12(11)7-4-3-5-8-12/h6H,1,3-5,7-9H2,2H3.
What are the key properties of 4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene?
4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene has a molecular weight of 178.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-1-oxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 102486324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).