4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one

C19H26O2 — CID 102349130

IUPAC4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESC=C(C=C1CCCCC1)C1=C(C)C(=O)OC12CCCCC2
InChIInChI=1S/C19H26O2/c1-14(13-16-9-5-3-6-10-16)17-15(2)18(20)21-19(17)11-7-4-8-12-19/h13H,1,3-12H2,2H3
InChIKeyBXWAVYJXMXZOJR-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.01
Rot. Bonds2

About 4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one

4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 102349130) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID102349130
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESC=C(C=C1CCCCC1)C1=C(C)C(=O)OC12CCCCC2
InChIInChI=1S/C19H26O2/c1-14(13-16-9-5-3-6-10-16)17-15(2)18(20)21-19(17)11-7-4-8-12-19/h13H,1,3-12H2,2H3
InChIKeyBXWAVYJXMXZOJR-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5a-Dimethyl-6,7,8,9-tetrahydropyrano[4,3-b]chromen-1-one
CID 44431109
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CID 135069632
3-Methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 10942809
4-Methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 12471977
3-Methyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 44817671
methyl (2Z)-2-(4,5-diethyl-2-oxo-1-oxaspiro[5.5]undec-4-en-3-ylidene)acetate
CID 101543552
Spiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one
CID 134859402
2-(cyclohexen-1-yl)-4-ethyl-2-methyl-3H-pyran-6-one
CID 134963574
4-Methyl-1-oxaspiro[5.5]undec-3-en-2-one
CID 12493448
2-decyl-2,4-dimethyl-3H-pyran-6-one
CID 100943792
7'-Methylspiro[cyclohexane-1,2'-pyrano[4,3-b]pyran]-5'-one
CID 10704733
6-(2-Cyclohexylethyl)-4-methylpyran-2-one
CID 21520125

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one (CID 102349130) is 4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one is C=C(C=C1CCCCC1)C1=C(C)C(=O)OC12CCCCC2.
What is the InChIKey of 4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is BXWAVYJXMXZOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-14(13-16-9-5-3-6-10-16)17-15(2)18(20)21-19(17)11-7-4-8-12-19/h13H,1,3-12H2,2H3.
What are the key properties of 4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 286.42 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylideneprop-1-en-2-yl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 102349130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).