(1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol

C13H20O6 — CID 11778004

IUPAC(1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol
SMILESCC1(C)O[C@H]2O[C@@H]3C[C@H]4OCCCC4(O)O[C@@H]3[C@H]2O1
InChIInChI=1S/C13H20O6/c1-12(2)17-10-9-7(16-11(10)19-12)6-8-13(14,18-9)4-3-5-15-8/h7-11,14H,3-6H2,1-2H3/t7-,8-,9+,10-,11-,13?/m1/s1
InChIKeyYQQBXMSAHRSCQD-PCGQUTTJSA-N
MW272.30 g/mol
LogP0.52
Rot. Bonds

About (1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol

(1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol (PubChem CID 11778004) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is (1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol.

Molecular Properties

Compound Name(1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol
PubChem CID11778004
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name(1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol
SMILESCC1(C)O[C@H]2O[C@@H]3C[C@H]4OCCCC4(O)O[C@@H]3[C@H]2O1
InChIInChI=1S/C13H20O6/c1-12(2)17-10-9-7(16-11(10)19-12)6-8-13(14,18-9)4-3-5-15-8/h7-11,14H,3-6H2,1-2H3/t7-,8-,9+,10-,11-,13?/m1/s1
InChIKeyYQQBXMSAHRSCQD-PCGQUTTJSA-N
XLogP0.52
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol with MolForge

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Related Compounds

(1R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecane-2,8-diol
CID 11778838
(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
CID 58077746
4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 73042620
(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134854494
(1S,2R,5'S,6R,8R)-4,4,5'-trimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,2'-oxolane]
CID 42599431
(1S,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
CID 98453372
(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
CID 10465447
(3aS,5S,6S,6aR)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 124744801
2,2-dimethyl-5-[(2R)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 135037394
(3aR,5R,6S,6aS)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11888642
(1S,2R,6R,8R,11R)-11-[[(1S,2R,6R,8R,11S)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane
CID 72723980
2,2,5-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol
CID 130142145

Frequently Asked Questions

What is the IUPAC name of (1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol?
The IUPAC name of (1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol (CID 11778004) is (1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol.
What is the SMILES notation for (1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol?
The canonical SMILES for (1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol is CC1(C)O[C@H]2O[C@@H]3C[C@H]4OCCCC4(O)O[C@@H]3[C@H]2O1.
What is the InChIKey of (1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol?
The InChIKey is YQQBXMSAHRSCQD-PCGQUTTJSA-N. The full InChI is InChI=1S/C13H20O6/c1-12(2)17-10-9-7(16-11(10)19-12)6-8-13(14,18-9)4-3-5-15-8/h7-11,14H,3-6H2,1-2H3/t7-,8-,9+,10-,11-,13?/m1/s1.
What are the key properties of (1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol?
(1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol has a molecular weight of 272.30 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,10S,11R,15R)-13,13-dimethyl-4,9,12,14,16-pentaoxatetracyclo[8.6.0.03,8.011,15]hexadecan-8-ol is sourced from PubChem (CID 11778004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).