2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane

C11H20O4 — CID 162407893

IUPAC2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane
SMILESCOC1CCC2(OCCOC2C(C)C)O1
InChIInChI=1S/C11H20O4/c1-8(2)10-11(14-7-6-13-10)5-4-9(12-3)15-11/h8-10H,4-7H2,1-3H3
InChIKeyPRDCRZNUHIIVHS-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.54
Rot. Bonds2

About 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane

2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane (PubChem CID 162407893) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane
PubChem CID162407893
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane
SMILESCOC1CCC2(OCCOC2C(C)C)O1
InChIInChI=1S/C11H20O4/c1-8(2)10-11(14-7-6-13-10)5-4-9(12-3)15-11/h8-10H,4-7H2,1-3H3
InChIKeyPRDCRZNUHIIVHS-UHFFFAOYSA-N
XLogP1.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-Dimethyl-6,8-dioxabicyclo[3.2.1]octane
CID 14433381
methyl-4,6-dideoxy-2,3-O-isopropylidene-4-methylpyranoside
CID 194716
(5S,6R,8S,9R)-6,8,9-trimethyl-1,3,10-trioxaspiro[4.5]decan-2-one
CID 10241889
(2S,3S,6R,11R)-2-(methoxymethoxymethyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecane
CID 44303223
Methyl-6-deoxy-2,3-isopropylidene-4-methylene lyxo-pyranoside
CID 194715
8-Ethoxy-3-ethyl-8-methyl-2,7,9-trioxabicyclo[4.3.0]nonane
CID 3904726
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(6-methylheptoxy)oxane-3,4,5-triol
CID 53937663
2-[(2S,4S,5R,6S)-4,5-dimethoxy-2,6-dimethylnon-7-ynoxy]oxane
CID 11266964
(2S,3R,4S,4aR,6S,8aR)-2,3,4-trimethoxy-6-(2-methylpropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 132524985
(6R,9S)-4,4,11,11-tetramethyl-8-(2-methylpropyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134833026
(5R)-7,8-dimethyl-1,6-dioxaspiro[4.5]decane
CID 134858477
(2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane
CID 134964241

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane?
The IUPAC name of 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane (CID 162407893) is 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane.
What is the SMILES notation for 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane?
The canonical SMILES for 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane is COC1CCC2(OCCOC2C(C)C)O1.
What is the InChIKey of 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane?
The InChIKey is PRDCRZNUHIIVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(2)10-11(14-7-6-13-10)5-4-9(12-3)15-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane?
2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane has a molecular weight of 216.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 162407893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).