6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one

C17H24O2 — CID 91414344

IUPAC6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one
SMILESCC=CC=C1OC2(CC(=O)C1=CCC)CC(C)(C)C2
InChIInChI=1S/C17H24O2/c1-5-7-9-15-13(8-6-2)14(18)10-17(19-15)11-16(3,4)12-17/h5,7-9H,6,10-12H2,1-4H3
InChIKeyWQWMBFGBAVZTNI-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.33
Rot. Bonds2

About 6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one

6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one (PubChem CID 91414344) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one.

Molecular Properties

Compound Name6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one
PubChem CID91414344
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one
SMILESCC=CC=C1OC2(CC(=O)C1=CCC)CC(C)(C)C2
InChIInChI=1S/C17H24O2/c1-5-7-9-15-13(8-6-2)14(18)10-17(19-15)11-16(3,4)12-17/h5,7-9H,6,10-12H2,1-4H3
InChIKeyWQWMBFGBAVZTNI-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4'E,5'E,6S)-4'-butylidene-5'-ethylidene-6-methylspiro[bicyclo[4.2.0]oct-1-ene-8,2'-oxolane]-3'-one
CID 142475667
6,8-Dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one
CID 143574311
ethane;(5E,6E)-2-ethyl-6-ethylidene-2-methyl-5-prop-2-enylideneoxan-4-one
CID 145474097
(2E,3E)-6-butan-2-yl-2-[(Z)-but-2-enylidene]-3-ethylideneoxan-4-one
CID 170135952
(3R,4S,7E,11S)-3,4,7,11-tetramethyl-15-oxatricyclo[9.3.1.14,14]hexadeca-1(14),7,12-trien-16-one
CID 11312207
(3R,4S,7Z,11S)-3,4,7,11-tetramethyl-15-oxatricyclo[9.3.1.14,14]hexadeca-1(14),7,12-trien-16-one
CID 23231847
(3S,4R,7E,11R)-3,4,7,11-tetramethyl-15-oxatricyclo[9.3.1.14,14]hexadeca-1(14),7,12-trien-16-one
CID 25191414
(2S,11S)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one
CID 102323204
(2S,11R)-2,13-dimethoxy-11-methylbicyclo[9.3.1]pentadeca-1(14),12-dien-15-one
CID 102323205
(5E,6E)-2-ethyl-6-ethylidene-2-methyl-5-prop-2-enylideneoxan-4-one
CID 145474098
(3S,4R,7Z,11R)-3,4,7,11-tetramethyl-15-oxatricyclo[9.3.1.14,14]hexadeca-1(14),7,12-trien-16-one
CID 177450515

Frequently Asked Questions

What is the IUPAC name of 6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one?
The IUPAC name of 6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one (CID 91414344) is 6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one.
What is the SMILES notation for 6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one?
The canonical SMILES for 6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one is CC=CC=C1OC2(CC(=O)C1=CCC)CC(C)(C)C2.
What is the InChIKey of 6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one?
The InChIKey is WQWMBFGBAVZTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-5-7-9-15-13(8-6-2)14(18)10-17(19-15)11-16(3,4)12-17/h5,7-9H,6,10-12H2,1-4H3.
What are the key properties of 6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one?
6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one has a molecular weight of 260.38 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one is sourced from PubChem (CID 91414344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).