(3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane

C12H22O2 — CID 58990308

IUPAC(3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
SMILESCC[C@H]1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C12H22O2/c1-4-10-5-6-12(7-10)13-8-11(2,3)9-14-12/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyHHEPLKLUUXKCOX-JTQLQIEISA-N
MW198.31 g/mol
LogP2.97
Rot. Bonds1

About (3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane

(3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane (PubChem CID 58990308) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
PubChem CID58990308
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
SMILESCC[C@H]1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C12H22O2/c1-4-10-5-6-12(7-10)13-8-11(2,3)9-14-12/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyHHEPLKLUUXKCOX-JTQLQIEISA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane with MolForge

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Related Compounds

(3aR,5'R,6R,7aS)-5'-ethyl-2,2-dimethylspiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,2'-oxane]
CID 14659979
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
2,2-diethyl-5,5-dimethyl-1,3-dioxane
CID 15146979
3-ethyl-1-methyl-1-propan-2-ylcyclopentane
CID 91433980
(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 54221269
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
(8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane
CID 67237087
(5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol
CID 154663039
(3-hydroxy-2,2-dimethylpropyl) 8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylate
CID 11543956
2-(3-chloro-4-methylsulfanylphenyl)-4-(8,8-dimethyl-6,10-dioxaspiro[4.5]decan-3-yl)butanoic acid
CID 143554000
9-chloro-3-ethyl-6-oxaspiro[4.5]decane
CID 64515030
(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol
CID 130488861

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane?
The IUPAC name of (3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane (CID 58990308) is (3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane?
The canonical SMILES for (3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane is CC[C@H]1CCC2(C1)OCC(C)(C)CO2.
What is the InChIKey of (3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane?
The InChIKey is HHEPLKLUUXKCOX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22O2/c1-4-10-5-6-12(7-10)13-8-11(2,3)9-14-12/h10H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane?
(3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane has a molecular weight of 198.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 58990308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).