(1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol

C15H24O5 — CID 98457767

IUPAC(1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol
SMILESC[C@H]1[C@H](O)O[C@@H]2O[C@@]3(C)O[C@]24[C@H]1CC[C@@H](C)[C@@H]4C[C@H]3O
InChIInChI=1S/C15H24O5/c1-7-4-5-9-8(2)12(17)18-13-15(9)10(7)6-11(16)14(3,19-13)20-15/h7-13,16-17H,4-6H2,1-3H3/t7-,8-,9+,10+,11-,12-,13-,14+,15+/m1/s1
InChIKeyHTYSVFNZNVQCLV-QSTFXFBASA-N
MW284.35 g/mol
LogP1.23
Rot. Bonds

About (1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol

(1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol (PubChem CID 98457767) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol.

Molecular Properties

Compound Name(1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol
PubChem CID98457767
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol
SMILESC[C@H]1[C@H](O)O[C@@H]2O[C@@]3(C)O[C@]24[C@H]1CC[C@@H](C)[C@@H]4C[C@H]3O
InChIInChI=1S/C15H24O5/c1-7-4-5-9-8(2)12(17)18-13-15(9)10(7)6-11(16)14(3,19-13)20-15/h7-13,16-17H,4-6H2,1-3H3/t7-,8-,9+,10+,11-,12-,13-,14+,15+/m1/s1
InChIKeyHTYSVFNZNVQCLV-QSTFXFBASA-N
XLogP1.23
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol with MolForge

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Related Compounds

(1S,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol
CID 139024279
(1R,4R,5R,8R,9S,10R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
CID 124769751
(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
CID 3000518
(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
CID 11358077
1-[4-[4-[[(1R,2R,4S,5R,8S,9R,10S,12R,13R)-2-hydroxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxymethyl]triazol-1-yl]phenyl]ethanone
CID 155538488
3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]propan-1-ol
CID 59274586
1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane
CID 4655379
1-[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]-2-[(4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]ethanone
CID 175748609
(1S,4R,5S,8R,9S,14R)-4,8,12-trimethyl-14-methylperoxy-2,13-dioxatricyclo[7.4.1.05,14]tetradecan-3-ol
CID 130337250
(1R,4R,5S,8S,9R,10S,12S)-10-ethoxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane
CID 131700154
(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide
CID 156554512
(1R,4S,5R,8S,9R,10R,12R,13R)-10-butyl-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane
CID 59274598

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol?
The IUPAC name of (1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol (CID 98457767) is (1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol.
What is the SMILES notation for (1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol?
The canonical SMILES for (1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol is C[C@H]1[C@H](O)O[C@@H]2O[C@@]3(C)O[C@]24[C@H]1CC[C@@H](C)[C@@H]4C[C@H]3O.
What is the InChIKey of (1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol?
The InChIKey is HTYSVFNZNVQCLV-QSTFXFBASA-N. The full InChI is InChI=1S/C15H24O5/c1-7-4-5-9-8(2)12(17)18-13-15(9)10(7)6-11(16)14(3,19-13)20-15/h7-13,16-17H,4-6H2,1-3H3/t7-,8-,9+,10+,11-,12-,13-,14+,15+/m1/s1.
What are the key properties of (1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol?
(1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol has a molecular weight of 284.35 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane-2,10-diol is sourced from PubChem (CID 98457767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).