cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone

C21H32O3 — CID 101392162

IUPACcyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone
SMILESCC1=C(C2(C(=O)C3CCCCC3)CC2)CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C21H32O3/c1-15-11-20(13-23-19(2,3)24-14-20)12-17(15)21(9-10-21)18(22)16-7-5-4-6-8-16/h16H,4-14H2,1-3H3
InChIKeyRDAIXSAEXHKYEQ-UHFFFAOYSA-N
MW332.48 g/mol
LogP4.80
Rot. Bonds3

About cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone

cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone (PubChem CID 101392162) has the molecular formula C21H32O3 and a molecular weight of 332.48 g/mol. Its IUPAC name is cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone
PubChem CID101392162
Molecular FormulaC21H32O3
Molecular Weight332.48 g/mol
Exact Mass332.24
IUPAC Namecyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone
SMILESCC1=C(C2(C(=O)C3CCCCC3)CC2)CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C21H32O3/c1-15-11-20(13-23-19(2,3)24-14-20)12-17(15)21(9-10-21)18(22)16-7-5-4-6-8-16/h16H,4-14H2,1-3H3
InChIKeyRDAIXSAEXHKYEQ-UHFFFAOYSA-N
XLogP4.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3'-Butyl-2,2-dimethylspiro[1,3-dioxane-5,5'-1,4,6,6a-tetrahydropentalene]-2'-one
CID 135020344
1-[2,3,8,8-Tetramethyl-5-[(2,3',7',7'-tetramethylspiro[1,3-dioxane-5,2'-bicyclo[4.1.0]heptane]-2-yl)methyl]-1,3,4,5,6,7-hexahydronaphthalen-2-yl]ethanone
CID 143299501
(3'aR,5'aS)-2,2-dimethylspiro[1,3-dioxane-5,7'-2,3,3a,4,5,5a,6,8-octahydro-as-indacene]-1'-one
CID 16734956
3'-Methyl-2,2-dipentylspiro[1,3-dioxane-5,5'-1,4,6,6a-tetrahydropentalene]-2'-one
CID 101238769
1-[1-(2,8,8-Trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]ethanone
CID 101392159
1-[1-(2,8,8-Trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]butan-1-one
CID 101392160
2-Methyl-1-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]propan-1-one
CID 101392161
1-[1-(2,8,8-Trimethyl-7,9-dioxaspiro[4.5]dec-2-en-4-yl)cyclopropyl]ethanone
CID 101410631
2,2,3'-trimethylspiro[1,3-dioxane-5,1'-5,6,7,7a-tetrahydro-2H-indene]-4'-one
CID 177612186

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone?
The IUPAC name of cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone (CID 101392162) is cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone.
What is the SMILES notation for cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone?
The canonical SMILES for cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone is CC1=C(C2(C(=O)C3CCCCC3)CC2)CC2(COC(C)(C)OC2)C1.
What is the InChIKey of cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone?
The InChIKey is RDAIXSAEXHKYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O3/c1-15-11-20(13-23-19(2,3)24-14-20)12-17(15)21(9-10-21)18(22)16-7-5-4-6-8-16/h16H,4-14H2,1-3H3.
What are the key properties of cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone?
cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone has a molecular weight of 332.48 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]dec-2-en-3-yl)cyclopropyl]methanone is sourced from PubChem (CID 101392162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).