(2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene

C16H26O3 — CID 11230910

IUPAC(2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene
SMILESCOC[C@H]1C=C(C)C=C(C)CC12O[C@H](C)C[C@H](C)O2
InChIInChI=1S/C16H26O3/c1-11-6-12(2)9-16(15(7-11)10-17-5)18-13(3)8-14(4)19-16/h6-7,13-15H,8-10H2,1-5H3/t13-,14+,15-,16?/m1/s1
InChIKeyDYVJXDAQXLXYKU-IUOOZAAYSA-N
MW266.38 g/mol
LogP3.46
Rot. Bonds2

About (2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene

(2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene (PubChem CID 11230910) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene.

Molecular Properties

Compound Name(2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene
PubChem CID11230910
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene
SMILESCOC[C@H]1C=C(C)C=C(C)CC12O[C@H](C)C[C@H](C)O2
InChIInChI=1S/C16H26O3/c1-11-6-12(2)9-16(15(7-11)10-17-5)18-13(3)8-14(4)19-16/h6-7,13-15H,8-10H2,1-5H3/t13-,14+,15-,16?/m1/s1
InChIKeyDYVJXDAQXLXYKU-IUOOZAAYSA-N
XLogP3.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-Dimethyl-5-heptenyl)-4-methyl-1,3-dioxane
CID 228644
(4S,5R)-5-ethyl-2,2-dimethyl-4-(4-methylpent-3-enyl)-1,3-dioxane
CID 10889618
2-(2,6-Dimethylhept-5-enyl)-4,6-dimethyl-1,3-dioxane
CID 13471392
4-[(E)-3-ethyl-4-methylpent-2-enyl]-2,2-dimethyl-1,3-dioxane
CID 69833993
5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane
CID 141165843
1-[2-(4-Methylpentan-2-yloxymethoxy)ethyl]cyclohexa-1,3-diene
CID 167213979
2-butyl-2-methyl-6-propyl-4a,7,8,8a-tetrahydro-4H-1,3-benzodioxine
CID 169913045
2,5,5-Trimethyl-2-(4-methylpent-3-enyl)-4-propan-2-yl-1,3-dioxane
CID 240211
(2R,4S)-2-[(2R)-2,6-dimethylhept-5-enyl]-4-methyl-1,3-dioxane
CID 928892
(2R,4S)-2-[(2S)-2,6-dimethylhept-5-enyl]-4-methyl-1,3-dioxane
CID 1549597
(2R,4R)-2-[(2S)-2,6-dimethylhept-5-enyl]-4-methyl-1,3-dioxane
CID 6546125
(2S,4S)-2-[(2S)-2,6-dimethylhept-5-enyl]-4-methyl-1,3-dioxane
CID 6560248

Frequently Asked Questions

What is the IUPAC name of (2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene?
The IUPAC name of (2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene (CID 11230910) is (2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene.
What is the SMILES notation for (2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene?
The canonical SMILES for (2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene is COC[C@H]1C=C(C)C=C(C)CC12O[C@H](C)C[C@H](C)O2.
What is the InChIKey of (2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene?
The InChIKey is DYVJXDAQXLXYKU-IUOOZAAYSA-N. The full InChI is InChI=1S/C16H26O3/c1-11-6-12(2)9-16(15(7-11)10-17-5)18-13(3)8-14(4)19-16/h6-7,13-15H,8-10H2,1-5H3/t13-,14+,15-,16?/m1/s1.
What are the key properties of (2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene?
(2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene has a molecular weight of 266.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,7R)-7-(methoxymethyl)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-diene is sourced from PubChem (CID 11230910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).