(4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane

C11H20O2 — CID 15722713

IUPAC(4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane
SMILESCC[C@H]1CCOC12OCC[C@@H]2CC
InChIInChI=1S/C11H20O2/c1-3-9-5-7-12-11(9)10(4-2)6-8-13-11/h9-10H,3-8H2,1-2H3/t9-,10-,11?/m0/s1
InChIKeyVLEHYXKEWWWUQI-QRHSGQBVSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds2

About (4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane

(4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane (PubChem CID 15722713) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane
PubChem CID15722713
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane
SMILESCC[C@H]1CCOC12OCC[C@@H]2CC
InChIInChI=1S/C11H20O2/c1-3-9-5-7-12-11(9)10(4-2)6-8-13-11/h9-10H,3-8H2,1-2H3/t9-,10-,11?/m0/s1
InChIKeyVLEHYXKEWWWUQI-QRHSGQBVSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(4R,5R,10R,11S)-5,11-dimethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
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3-(hydroxymethyl)oxolane-2,2-diol
CID 54251958
9-ethyl-1,4-dioxa-7-azaspiro[4.4]nonane
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7-ethyl-2-oxaspiro[3.3]heptane
CID 162428852
2,2-diethyloxolan-3-ol
CID 130122256
3-chloro-2-ethyl-2-methyloxolane
CID 13494584
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913769
2-ethyl-2-(iodomethyl)-1,3-dioxolane
CID 13331255
2,2-dimethyloxolan-3-amine
CID 59657974

Frequently Asked Questions

What is the IUPAC name of (4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane?
The IUPAC name of (4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane (CID 15722713) is (4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane.
What is the SMILES notation for (4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane?
The canonical SMILES for (4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane is CC[C@H]1CCOC12OCC[C@@H]2CC.
What is the InChIKey of (4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane?
The InChIKey is VLEHYXKEWWWUQI-QRHSGQBVSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-9-5-7-12-11(9)10(4-2)6-8-13-11/h9-10H,3-8H2,1-2H3/t9-,10-,11?/m0/s1.
What are the key properties of (4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane?
(4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane has a molecular weight of 184.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane is sourced from PubChem (CID 15722713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).