1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone

C11H18O3 — CID 11820056

IUPAC1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone
SMILESCC(=O)[C@@H]1CC[C@@H](C)CC12OCCO2
InChIInChI=1S/C11H18O3/c1-8-3-4-10(9(2)12)11(7-8)13-5-6-14-11/h8,10H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyZAIFRYFYSQOLRT-SCZZXKLOSA-N
MW198.26 g/mol
LogP1.75
Rot. Bonds1

About 1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone

1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone (PubChem CID 11820056) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone.

Molecular Properties

Compound Name1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone
PubChem CID11820056
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone
SMILESCC(=O)[C@@H]1CC[C@@H](C)CC12OCCO2
InChIInChI=1S/C11H18O3/c1-8-3-4-10(9(2)12)11(7-8)13-5-6-14-11/h8,10H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyZAIFRYFYSQOLRT-SCZZXKLOSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-Dimethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 10997717
6,6,9,9-Tetramethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 146082096
1-{1,4-Dioxaspiro[4.5]decan-6-yl}ethanone
CID 10103861
8-(2-Methyl-1,3-dioxolan-2-yl)-7-tetradecanone
CID 13600696
6-Methyl-1,4-dioxaspiro[4.5]decan-7-one
CID 10012321
7-But-2-ynyl-1,4-dioxaspiro[4.5]decan-8-one
CID 86062897
(R)-1,4-Dioxadispiro[4.0.56.45]pentadecan-7-one
CID 85856331
7,10-Dioxadispiro[4.0.46.45]tetradecan-4-one
CID 85857823
1-(6-Acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one
CID 11776431
2-(2-Methyl-1,3-dioxolan-2-yl)cyclohexanone
CID 13112445
1-[(4R,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134856789
1-[(9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone
CID 134890133

Frequently Asked Questions

What is the IUPAC name of 1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone?
The IUPAC name of 1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone (CID 11820056) is 1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone.
What is the SMILES notation for 1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone?
The canonical SMILES for 1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone is CC(=O)[C@@H]1CC[C@@H](C)CC12OCCO2.
What is the InChIKey of 1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone?
The InChIKey is ZAIFRYFYSQOLRT-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H18O3/c1-8-3-4-10(9(2)12)11(7-8)13-5-6-14-11/h8,10H,3-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of 1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone?
1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone has a molecular weight of 198.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S,9R)-9-methyl-1,4-dioxaspiro[4.5]decan-6-yl]ethanone is sourced from PubChem (CID 11820056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).