(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol

C16H24O7 — CID 134973225

IUPAC(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2[C@H]1CC=CC(O)O1
InChIInChI=1S/C16H24O7/c1-15(2)20-11-10(8-6-5-7-9(17)18-8)19-14-13(12(11)21-15)22-16(3,4)23-14/h5,7-14,17H,6H2,1-4H3/t8-,9?,10-,11+,12+,13-,14-/m1/s1
InChIKeyAFWLWZFOIFAROK-SYGUXHOESA-N
MW328.36 g/mol
LogP1.05
Rot. Bonds1

About (2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol

(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol (PubChem CID 134973225) has the molecular formula C16H24O7 and a molecular weight of 328.36 g/mol. Its IUPAC name is (2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol
PubChem CID134973225
Molecular FormulaC16H24O7
Molecular Weight328.36 g/mol
Exact Mass328.15
IUPAC Name(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2[C@H]1CC=CC(O)O1
InChIInChI=1S/C16H24O7/c1-15(2)20-11-10(8-6-5-7-9(17)18-8)19-14-13(12(11)21-15)22-16(3,4)23-14/h5,7-14,17H,6H2,1-4H3/t8-,9?,10-,11+,12+,13-,14-/m1/s1
InChIKeyAFWLWZFOIFAROK-SYGUXHOESA-N
XLogP1.05
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol with MolForge

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Related Compounds

(2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 12965306
(2S,3S,6R)-2-[2-[(2R,3R,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 12965310
(1R)-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]prop-2-en-1-ol
CID 14015641
(1S)-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]prop-2-en-1-ol
CID 14015642
(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol
CID 134855787
ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate
CID 134973117
[(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-yl] acetate
CID 134973224
(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-2,3-dihydropyran-6-one
CID 134973226
1-(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)prop-2-en-1-ol
CID 279078
(2R,3S,6S)-2-[2-[(2R,3R,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 101138316
(1R,8S,9R)-4,4,11,11-tetramethyl-8-prop-1-enyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 70451177
[6'-(2-Acetyloxyheptadecyl)-5-hydroxyspiro[3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2,2'-oxane]-4'-yl] acetate
CID 123837856

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of (2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol (CID 134973225) is (2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for (2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for (2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol is CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2[C@H]1CC=CC(O)O1.
What is the InChIKey of (2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is AFWLWZFOIFAROK-SYGUXHOESA-N. The full InChI is InChI=1S/C16H24O7/c1-15(2)20-11-10(8-6-5-7-9(17)18-8)19-14-13(12(11)21-15)22-16(3,4)23-14/h5,7-14,17H,6H2,1-4H3/t8-,9?,10-,11+,12+,13-,14-/m1/s1.
What are the key properties of (2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol?
(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 328.36 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 134973225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).