(5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione

C13H20O2 — CID 10998243

IUPAC(5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione
SMILESCC(C)[C@@H]1CCC(=O)[C@]2(CCCC2=O)C1
InChIInChI=1S/C13H20O2/c1-9(2)10-5-6-12(15)13(8-10)7-3-4-11(13)14/h9-10H,3-8H2,1-2H3/t10-,13-/m1/s1
InChIKeyCBBHDUXZAJTTKZ-ZWNOBZJWSA-N
MW208.30 g/mol
LogP2.75
Rot. Bonds1

About (5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione

(5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione (PubChem CID 10998243) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione.

Molecular Properties

Compound Name(5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione
PubChem CID10998243
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione
SMILESCC(C)[C@@H]1CCC(=O)[C@]2(CCCC2=O)C1
InChIInChI=1S/C13H20O2/c1-9(2)10-5-6-12(15)13(8-10)7-3-4-11(13)14/h9-10H,3-8H2,1-2H3/t10-,13-/m1/s1
InChIKeyCBBHDUXZAJTTKZ-ZWNOBZJWSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(5R,7R)-4,10-dimethylidene-7-propan-2-ylspiro[4.5]decane
CID 11138213
(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one
CID 10561124
(5R)-9-methylidenespiro[4.4]nonan-4-one
CID 101143196
4-methyl-9-propan-2-yl-2-azaspiro[4.5]decan-6-one
CID 165470324
1-ethenyl-8-propan-2-ylspiro[4.4]nonan-4-one
CID 78119246
2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one
CID 10014531
spiro[5.6]dodecane-5,12-dione
CID 534624
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
(4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol
CID 10977052
(3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one
CID 46896966
1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one
CID 107450626
(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 177290980

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione?
The IUPAC name of (5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione (CID 10998243) is (5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione.
What is the SMILES notation for (5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione?
The canonical SMILES for (5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione is CC(C)[C@@H]1CCC(=O)[C@]2(CCCC2=O)C1.
What is the InChIKey of (5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione?
The InChIKey is CBBHDUXZAJTTKZ-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)10-5-6-12(15)13(8-10)7-3-4-11(13)14/h9-10H,3-8H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione?
(5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione has a molecular weight of 208.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione is sourced from PubChem (CID 10998243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).