(1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane

C14H24O4 — CID 102157576

IUPAC(1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane
SMILESC[C@H]1C[C@@H]2COC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C14H24O4/c1-8-6-9-7-15-13(2,3)17-11(9)12-10(8)16-14(4,5)18-12/h8-12H,6-7H2,1-5H3/t8-,9+,10-,11+,12+/m0/s1
InChIKeyXPABQVHJMAUHTD-RNWYCLNJSA-N
MW256.34 g/mol
LogP2.31
Rot. Bonds

About (1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane

(1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane (PubChem CID 102157576) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane.

Molecular Properties

Compound Name(1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane
PubChem CID102157576
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane
SMILESC[C@H]1C[C@@H]2COC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C14H24O4/c1-8-6-9-7-15-13(2,3)17-11(9)12-10(8)16-14(4,5)18-12/h8-12H,6-7H2,1-5H3/t8-,9+,10-,11+,12+/m0/s1
InChIKeyXPABQVHJMAUHTD-RNWYCLNJSA-N
XLogP2.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane with MolForge

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Related Compounds

(4R,6S)-2,2,5-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxane
CID 11003579
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-3-methyloxiran-2-yl]-1,3-dioxolane
CID 102250343
1-[(3aR,4S,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanone
CID 59059709
(1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 12513637
(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane
CID 100965726
[(3aS,4R,5S,7R,7aR)-4-hydroxy-2,2,7-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl] acetate
CID 169294456
(1R,2S,6R,7S,8S,9S)-4,4,12,12-tetramethylspiro[3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane-8,2'-oxirane]-7-ol
CID 11254674
2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 148584405
(1R,2S,6S,7R,9R)-7-chloro-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 11808046
4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol
CID 14226074
(3aR,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 12719632
(4aS,7R,8R,8aR)-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 70997121

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane?
The IUPAC name of (1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane (CID 102157576) is (1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane.
What is the SMILES notation for (1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane?
The canonical SMILES for (1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane is C[C@H]1C[C@@H]2COC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of (1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane?
The InChIKey is XPABQVHJMAUHTD-RNWYCLNJSA-N. The full InChI is InChI=1S/C14H24O4/c1-8-6-9-7-15-13(2,3)17-11(9)12-10(8)16-14(4,5)18-12/h8-12H,6-7H2,1-5H3/t8-,9+,10-,11+,12+/m0/s1.
What are the key properties of (1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane?
(1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane has a molecular weight of 256.34 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S,9R)-4,4,7,12,12-pentamethyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecane is sourced from PubChem (CID 102157576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).