(6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one

C13H22O4 — CID 11356921

IUPAC(6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one
SMILESCC[C@@]1(O)[C@H](C)C2(OCCO2)[C@@H](C)C(=O)[C@@H]1C
InChIInChI=1S/C13H22O4/c1-5-12(15)8(2)11(14)9(3)13(10(12)4)16-6-7-17-13/h8-10,15H,5-7H2,1-4H3/t8-,9-,10-,12-/m0/s1
InChIKeyXJRJULXWOMBHLQ-GMOBBJLQSA-N
MW242.31 g/mol
LogP1.36
Rot. Bonds1

About (6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one

(6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one (PubChem CID 11356921) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one.

Molecular Properties

Compound Name(6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one
PubChem CID11356921
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one
SMILESCC[C@@]1(O)[C@H](C)C2(OCCO2)[C@@H](C)C(=O)[C@@H]1C
InChIInChI=1S/C13H22O4/c1-5-12(15)8(2)11(14)9(3)13(10(12)4)16-6-7-17-13/h8-10,15H,5-7H2,1-4H3/t8-,9-,10-,12-/m0/s1
InChIKeyXJRJULXWOMBHLQ-GMOBBJLQSA-N
XLogP1.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one with MolForge

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Related Compounds

(2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 88980068
1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane
CID 90470477
3-hydroxy-2,2-dimethyloxan-4-one
CID 14977609
(1'S,3'S,5'S,7'S)-spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one
CID 98164014
spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one
CID 90482556
1-ethyl-2,6-dimethylcyclohexan-1-ol
CID 86221800
3-ethyl-3-hydroxy-2-methylcyclohexan-1-one
CID 138972637
(5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione
CID 57103772
(3R)-3-ethyl-3-hydroxyoxolan-2-one
CID 100940075
6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
CID 11117312
trans-(2R,3R)-3-ethyl-3-hydroxy-2,4,4-trimethylcyclohexan-1-one
CID 167092961
5-ethyl-5,6-dihydroxy-1,3-dioxepane-4,7-dione
CID 89373829

Frequently Asked Questions

What is the IUPAC name of (6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one?
The IUPAC name of (6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one (CID 11356921) is (6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one.
What is the SMILES notation for (6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one?
The canonical SMILES for (6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one is CC[C@@]1(O)[C@H](C)C2(OCCO2)[C@@H](C)C(=O)[C@@H]1C.
What is the InChIKey of (6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one?
The InChIKey is XJRJULXWOMBHLQ-GMOBBJLQSA-N. The full InChI is InChI=1S/C13H22O4/c1-5-12(15)8(2)11(14)9(3)13(10(12)4)16-6-7-17-13/h8-10,15H,5-7H2,1-4H3/t8-,9-,10-,12-/m0/s1.
What are the key properties of (6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one?
(6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one has a molecular weight of 242.31 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one is sourced from PubChem (CID 11356921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).