6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone

C17H28O2 — CID 115787700

IUPAC6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)C2CCOC3(CCCC3)C2)C1(C)C
InChIInChI=1S/C17H28O2/c1-15(2)14(16(15,3)4)13(18)12-7-10-19-17(11-12)8-5-6-9-17/h12,14H,5-11H2,1-4H3
InChIKeyMCPWVTXROSTEAP-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.98
Rot. Bonds2

About 6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone

6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 115787700) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID115787700
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)C2CCOC3(CCCC3)C2)C1(C)C
InChIInChI=1S/C17H28O2/c1-15(2)14(16(15,3)4)13(18)12-7-10-19-17(11-12)8-5-6-9-17/h12,14H,5-11H2,1-4H3
InChIKeyMCPWVTXROSTEAP-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone with MolForge

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 107003969
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
6-azaspiro[2.5]octan-2-yl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116573069
(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114215606
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398
2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)prop-2-en-1-one
CID 103446328
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697

Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of 6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 115787700) is 6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for 6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for 6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)C2CCOC3(CCCC3)C2)C1(C)C.
What is the InChIKey of 6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is MCPWVTXROSTEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-15(2)14(16(15,3)4)13(18)12-7-10-19-17(11-12)8-5-6-9-17/h12,14H,5-11H2,1-4H3.
What are the key properties of 6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone?
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 264.41 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 115787700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).