1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone

C19H32O2 — CID 163551388

IUPAC1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone
SMILESCC(=O)C1CC2(CC(C(C)=O)C(C)CC2C)C(C)CC1C
InChIInChI=1S/C19H32O2/c1-11-7-13(3)19(9-17(11)15(5)20)10-18(16(6)21)12(2)8-14(19)4/h11-14,17-18H,7-10H2,1-6H3
InChIKeyFJIUHQCPOGTVII-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.52
Rot. Bonds2

About 1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone

1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone (PubChem CID 163551388) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone
PubChem CID163551388
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone
SMILESCC(=O)C1CC2(CC(C(C)=O)C(C)CC2C)C(C)CC1C
InChIInChI=1S/C19H32O2/c1-11-7-13(3)19(9-17(11)15(5)20)10-18(16(6)21)12(2)8-14(19)4/h11-14,17-18H,7-10H2,1-6H3
InChIKeyFJIUHQCPOGTVII-UHFFFAOYSA-N
XLogP4.52
TPSA34.14 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 ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone?
The IUPAC name of 1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone (CID 163551388) is 1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone.
What is the SMILES notation for 1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone?
The canonical SMILES for 1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone is CC(=O)C1CC2(CC(C(C)=O)C(C)CC2C)C(C)CC1C.
What is the InChIKey of 1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone?
The InChIKey is FJIUHQCPOGTVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-11-7-13(3)19(9-17(11)15(5)20)10-18(16(6)21)12(2)8-14(19)4/h11-14,17-18H,7-10H2,1-6H3.
What are the key properties of 1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone?
1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone has a molecular weight of 292.46 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone is sourced from PubChem (CID 163551388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).