(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

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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).