(1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol

C14H24O7 — CID 71171615

IUPAC(1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol
SMILESCO[C@@H]1OC2COC(C)(C)O[C@H]2C2OC(C)(C)O[C@@H]2C1O
InChIInChI=1S/C14H24O7/c1-13(2)17-6-7-9(19-13)11-10(20-14(3,4)21-11)8(15)12(16-5)18-7/h7-12,15H,6H2,1-5H3/t7?,8?,9-,10-,11?,12-/m1/s1
InChIKeyIYQZQCBBCAWDEO-WXRYPZCXSA-N
MW304.34 g/mol
LogP0.39
Rot. Bonds1

About (1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol

(1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol (PubChem CID 71171615) has the molecular formula C14H24O7 and a molecular weight of 304.34 g/mol. Its IUPAC name is (1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol.

Molecular Properties

Compound Name(1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol
PubChem CID71171615
Molecular FormulaC14H24O7
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name(1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol
SMILESCO[C@@H]1OC2COC(C)(C)O[C@H]2C2OC(C)(C)O[C@@H]2C1O
InChIInChI=1S/C14H24O7/c1-13(2)17-6-7-9(19-13)11-10(20-14(3,4)21-11)8(15)12(16-5)18-7/h7-12,15H,6H2,1-5H3/t7?,8?,9-,10-,11?,12-/m1/s1
InChIKeyIYQZQCBBCAWDEO-WXRYPZCXSA-N
XLogP0.39
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol?
The IUPAC name of (1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol (CID 71171615) is (1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol.
What is the SMILES notation for (1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol?
The canonical SMILES for (1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol is CO[C@@H]1OC2COC(C)(C)O[C@H]2C2OC(C)(C)O[C@@H]2C1O.
What is the InChIKey of (1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol?
The InChIKey is IYQZQCBBCAWDEO-WXRYPZCXSA-N. The full InChI is InChI=1S/C14H24O7/c1-13(2)17-6-7-9(19-13)11-10(20-14(3,4)21-11)8(15)12(16-5)18-7/h7-12,15H,6H2,1-5H3/t7?,8?,9-,10-,11?,12-/m1/s1.
What are the key properties of (1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol?
(1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol has a molecular weight of 304.34 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,8R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-7-ol is sourced from PubChem (CID 71171615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).