2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one

C19H32O2 — CID 79900843

IUPAC2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C19H32O2/c1-14(2)15-6-7-18(20)17(12-15)16-8-11-21-19(13-16)9-4-3-5-10-19/h14-17H,3-13H2,1-2H3
InChIKeyLEZYUNROIPZREJ-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.76
Rot. Bonds2

About 2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one

2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one (PubChem CID 79900843) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one
PubChem CID79900843
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C19H32O2/c1-14(2)15-6-7-18(20)17(12-15)16-8-11-21-19(13-16)9-4-3-5-10-19/h14-17H,3-13H2,1-2H3
InChIKeyLEZYUNROIPZREJ-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894723
2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894496
4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one
CID 83196687
4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one
CID 114621804
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
CID 79894647
2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexan-1-one
CID 79416622
2-(2-hydroxycycloheptyl)-4-propan-2-ylcyclohexan-1-one
CID 79417161
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
2-(azepan-2-yl)-4-propan-2-ylcyclohexan-1-one
CID 79536826
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658
4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79924283

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one (CID 79900843) is 2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one is CC(C)C1CCC(=O)C(C2CCOC3(CCCCC3)C2)C1.
What is the InChIKey of 2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one?
The InChIKey is LEZYUNROIPZREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-14(2)15-6-7-18(20)17(12-15)16-8-11-21-19(13-16)9-4-3-5-10-19/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one?
2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one has a molecular weight of 292.46 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 79900843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).