5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane

C22H36O4 — CID 146531639

IUPAC5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane
SMILESC=C1C[C@H](CCC2OCC(C)(C)CO2)O[C@H]1CC[C@H]1CCC(=C)[C@@H](C)O1
InChIInChI=1S/C22H36O4/c1-15-6-7-18(25-17(15)3)8-10-20-16(2)12-19(26-20)9-11-21-23-13-22(4,5)14-24-21/h17-21H,1-2,6-14H2,3-5H3/t17-,18-,19+,20+/m1/s1
InChIKeyHQWWRWBEYWPRFQ-ZRNYENFQSA-N
MW364.53 g/mol
LogP4.78
Rot. Bonds6

About 5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane

5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane (PubChem CID 146531639) has the molecular formula C22H36O4 and a molecular weight of 364.53 g/mol. Its IUPAC name is 5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane
PubChem CID146531639
Molecular FormulaC22H36O4
Molecular Weight364.53 g/mol
Exact Mass364.26
IUPAC Name5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane
SMILESC=C1C[C@H](CCC2OCC(C)(C)CO2)O[C@H]1CC[C@H]1CCC(=C)[C@@H](C)O1
InChIInChI=1S/C22H36O4/c1-15-6-7-18(25-17(15)3)8-10-20-16(2)12-19(26-20)9-11-21-23-13-22(4,5)14-24-21/h17-21H,1-2,6-14H2,3-5H3/t17-,18-,19+,20+/m1/s1
InChIKeyHQWWRWBEYWPRFQ-ZRNYENFQSA-N
XLogP4.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane with MolForge

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Related Compounds

CID 146529703
CID 146529703
CID 146529719
CID 146529719
CID 146529722
CID 146529722
CID 146530707
CID 146530707
CID 146532073
CID 146532073
CID 174895666
CID 174895666
CID 14738884
CID 14738884
CID 101189760
CID 101189760

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane (CID 146531639) is 5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane is C=C1C[C@H](CCC2OCC(C)(C)CO2)O[C@H]1CC[C@H]1CCC(=C)[C@@H](C)O1.
What is the InChIKey of 5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane?
The InChIKey is HQWWRWBEYWPRFQ-ZRNYENFQSA-N. The full InChI is InChI=1S/C22H36O4/c1-15-6-7-18(25-17(15)3)8-10-20-16(2)12-19(26-20)9-11-21-23-13-22(4,5)14-24-21/h17-21H,1-2,6-14H2,3-5H3/t17-,18-,19+,20+/m1/s1.
What are the key properties of 5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane?
5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane has a molecular weight of 364.53 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[2-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]ethyl]-1,3-dioxane is sourced from PubChem (CID 146531639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).