(1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one

C15H22O5 — CID 91895394

IUPAC(1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one
SMILESC[C@@H]1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3C[C@H](O)[C@@]3(C)O[C@@H]3C[C@@H]21
InChIInChI=1S/C15H22O5/c1-7-8-4-12-15(3,20-12)10(16)5-11-14(2,19-11)6-9(8)18-13(7)17/h7-12,16H,4-6H2,1-3H3/t7-,8+,9-,10-,11+,12+,14+,15+/m0/s1
InChIKeyCFCZKBUBOFFSDG-RWDDTAIWSA-N
MW282.34 g/mol
LogP1.02
Rot. Bonds

About (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one

(1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one (PubChem CID 91895394) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one.

Molecular Properties

Compound Name(1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one
PubChem CID91895394
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one
SMILESC[C@@H]1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3C[C@H](O)[C@@]3(C)O[C@@H]3C[C@@H]21
InChIInChI=1S/C15H22O5/c1-7-8-4-12-15(3,20-12)10(16)5-11-14(2,19-11)6-9(8)18-13(7)17/h7-12,16H,4-6H2,1-3H3/t7-,8+,9-,10-,11+,12+,14+,15+/m0/s1
InChIKeyCFCZKBUBOFFSDG-RWDDTAIWSA-N
XLogP1.02
TPSA71.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one?
The IUPAC name of (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one (CID 91895394) is (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one.
What is the SMILES notation for (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one?
The canonical SMILES for (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one is C[C@@H]1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3C[C@H](O)[C@@]3(C)O[C@@H]3C[C@@H]21.
What is the InChIKey of (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one?
The InChIKey is CFCZKBUBOFFSDG-RWDDTAIWSA-N. The full InChI is InChI=1S/C15H22O5/c1-7-8-4-12-15(3,20-12)10(16)5-11-14(2,19-11)6-9(8)18-13(7)17/h7-12,16H,4-6H2,1-3H3/t7-,8+,9-,10-,11+,12+,14+,15+/m0/s1.
What are the key properties of (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one?
(1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one has a molecular weight of 282.34 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one is sourced from PubChem (CID 91895394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).