4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one

C16H22O — CID 129144294

IUPAC4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one
SMILESCC1=CCC(C)(C)C2=C1C(=O)CC21CCCC1
InChIInChI=1S/C16H22O/c1-11-6-9-15(2,3)14-13(11)12(17)10-16(14)7-4-5-8-16/h6H,4-5,7-10H2,1-3H3
InChIKeyAVDSKSXRKANXSF-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.19
Rot. Bonds

About 4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one

4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one (PubChem CID 129144294) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one.

Molecular Properties

Compound Name4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one
PubChem CID129144294
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one
SMILESCC1=CCC(C)(C)C2=C1C(=O)CC21CCCC1
InChIInChI=1S/C16H22O/c1-11-6-9-15(2,3)14-13(11)12(17)10-16(14)7-4-5-8-16/h6H,4-5,7-10H2,1-3H3
InChIKeyAVDSKSXRKANXSF-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-4-methylspiro[4.4]non-3-en-2-one
CID 13181039
4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
CID 118319054
4,6-ditert-butylspiro[2,5-dihydropentalene-3,1'-cyclobutane]-1-one
CID 118314308
2,3-dimethylspiro[4.5]dec-2-en-4-one
CID 14809990
8-methylspiro[4.5]deca-7,9-diene
CID 123168387
7,7-dimethylspiro[3.4]octan-8-one
CID 45098314
(5S)-5-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
CID 45096415
3-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxyspiro[4.5]dec-3-en-2-one
CID 10199382
7-methylspiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclohexane]-4-one
CID 115099822
4,8,8-trimethylcyclooct-3-en-1-one
CID 130029002
4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one
CID 11159869
(5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one
CID 90861353

Frequently Asked Questions

What is the IUPAC name of 4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one?
The IUPAC name of 4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one (CID 129144294) is 4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one.
What is the SMILES notation for 4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one?
The canonical SMILES for 4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one is CC1=CCC(C)(C)C2=C1C(=O)CC21CCCC1.
What is the InChIKey of 4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one?
The InChIKey is AVDSKSXRKANXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-11-6-9-15(2,3)14-13(11)12(17)10-16(14)7-4-5-8-16/h6H,4-5,7-10H2,1-3H3.
What are the key properties of 4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one?
4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7-trimethylspiro[2,5-dihydroindene-3,1'-cyclopentane]-1-one is sourced from PubChem (CID 129144294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).