2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one

C14H22O3 — CID 574328

IUPAC2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESCC1=CC(=O)OC2(CC(C)CCC2C(C)C)O1
InChIInChI=1S/C14H22O3/c1-9(2)12-6-5-10(3)8-14(12)16-11(4)7-13(15)17-14/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyWEUGLSGCWUMGED-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.25
Rot. Bonds1

About 2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one

2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one (PubChem CID 574328) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
PubChem CID574328
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESCC1=CC(=O)OC2(CC(C)CCC2C(C)C)O1
InChIInChI=1S/C14H22O3/c1-9(2)12-6-5-10(3)8-14(12)16-11(4)7-13(15)17-14/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyWEUGLSGCWUMGED-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S,8R,11S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 15921426
(6R,8R,11S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 10988335
(6R,8R,11S)-3-fluoro-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 10331974
(6S,8R,11S)-3-fluoro-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 10399485
(6S)-7-Isopropyl-2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 57346442
Spirobicyclo[2.2.1]heptane-2,2'-(1',3'-dioxa-2'-oxocyclohex-5'-ene)], 1,6',7,7-tetramethyl-
CID 565723
Spiro[3'-methylcyclohexane]-1,3-dioxa-6-methylcyclohex-5-en-4-one, (2S,3'R)-
CID 574413
1,5-Dioxaspiro[5.5]undec-3-en-2-one, 7-isopropyl-10-methyl-4-(4-penten-2-yl)-
CID 574532
1,5-Dioxaspiro[5.5]undec-2-en-4-one, 2-(3-butenyl)-7-isopropyl-10-methyl-3-(2-propenyl)-
CID 579036
1,5-Dioxaspiro[5.5]undec-3-en-2-one, 7-isopropyl-4,10-dimethyl-3-(2-propenyl)-
CID 579909
(6S,8R,11S)-8-methyl-11-propan-2-yl-2-[(E)-prop-1-enyl]-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 101925412
(6S,8R,11S)-8-methyl-11-propan-2-yl-2-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 10984044

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The IUPAC name of 2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one (CID 574328) is 2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for 2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The canonical SMILES for 2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one is CC1=CC(=O)OC2(CC(C)CCC2C(C)C)O1.
What is the InChIKey of 2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The InChIKey is WEUGLSGCWUMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-9(2)12-6-5-10(3)8-14(12)16-11(4)7-13(15)17-14/h7,9-10,12H,5-6,8H2,1-4H3.
What are the key properties of 2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one has a molecular weight of 238.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 574328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).