(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

C16H26O2 — CID 107003969

IUPAC(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESCC1(C)CC1C(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H26O2/c1-15(2)11-13(15)14(17)12-6-9-18-16(10-12)7-4-3-5-8-16/h12-13H,3-11H2,1-2H3
InChIKeyHVGPYBMTWRMUPB-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.73
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 107003969) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
PubChem CID107003969
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESCC1(C)CC1C(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H26O2/c1-15(2)11-13(15)14(17)12-6-9-18-16(10-12)7-4-3-5-8-16/h12-13H,3-11H2,1-2H3
InChIKeyHVGPYBMTWRMUPB-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787700
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
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
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
(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
(3-ethyl-1,4-dithian-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115385923

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (CID 107003969) is (2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is CC1(C)CC1C(=O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is HVGPYBMTWRMUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-15(2)11-13(15)14(17)12-6-9-18-16(10-12)7-4-3-5-8-16/h12-13H,3-11H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 250.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 107003969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).