(7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane

C11H20O3 — CID 129379894

IUPAC(7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane
SMILESCOC[C@@]1(C)CCCC2(C1)OCCO2
InChIInChI=1S/C11H20O3/c1-10(9-12-2)4-3-5-11(8-10)13-6-7-14-11/h3-9H2,1-2H3/t10-/m0/s1
InChIKeyYKSLKLCJSVWEOA-JTQLQIEISA-N
MW200.28 g/mol
LogP1.96
Rot. Bonds2

About (7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane

(7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 129379894) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID129379894
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane
SMILESCOC[C@@]1(C)CCCC2(C1)OCCO2
InChIInChI=1S/C11H20O3/c1-10(9-12-2)4-3-5-11(8-10)13-6-7-14-11/h3-9H2,1-2H3/t10-/m0/s1
InChIKeyYKSLKLCJSVWEOA-JTQLQIEISA-N
XLogP1.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol
CID 121222293
3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal
CID 10632335
1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane
CID 20689593
7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile
CID 10654993
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
ethyl (2Z)-6-methyl-2-[3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propylidene]hept-5-enoate
CID 10522810
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane
CID 143788667
8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane-2,4-dione
CID 58382565
12,12-dimethyl-7,10-dioxadispiro[2.2.46.23]dodecane
CID 175914993
(1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane
CID 122546546
ethyl 8-(methoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 121279376

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane (CID 129379894) is (7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane is COC[C@@]1(C)CCCC2(C1)OCCO2.
What is the InChIKey of (7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is YKSLKLCJSVWEOA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20O3/c1-10(9-12-2)4-3-5-11(8-10)13-6-7-14-11/h3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane?
(7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 200.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 129379894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).