(1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one

C15H22O4 — CID 10468126

IUPAC(1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one
SMILESCC1(C)O[C@H]2O[C@@H]3CC[C@@H]4CCCC(=O)[C@@H]4[C@H]3[C@H]2O1
InChIInChI=1S/C15H22O4/c1-15(2)18-13-12-10(17-14(13)19-15)7-6-8-4-3-5-9(16)11(8)12/h8,10-14H,3-7H2,1-2H3/t8-,10+,11+,12-,13+,14+/m0/s1
InChIKeyKLXKNKKVCDDXPH-VWJSEBMVSA-N
MW266.34 g/mol
LogP2.26
Rot. Bonds

About (1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one

(1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one (PubChem CID 10468126) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one.

Molecular Properties

Compound Name(1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one
PubChem CID10468126
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one
SMILESCC1(C)O[C@H]2O[C@@H]3CC[C@@H]4CCCC(=O)[C@@H]4[C@H]3[C@H]2O1
InChIInChI=1S/C15H22O4/c1-15(2)18-13-12-10(17-14(13)19-15)7-6-8-4-3-5-9(16)11(8)12/h8,10-14H,3-7H2,1-2H3/t8-,10+,11+,12-,13+,14+/m0/s1
InChIKeyKLXKNKKVCDDXPH-VWJSEBMVSA-N
XLogP2.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one?
The IUPAC name of (1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one (CID 10468126) is (1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one.
What is the SMILES notation for (1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one?
The canonical SMILES for (1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one is CC1(C)O[C@H]2O[C@@H]3CC[C@@H]4CCCC(=O)[C@@H]4[C@H]3[C@H]2O1.
What is the InChIKey of (1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one?
The InChIKey is KLXKNKKVCDDXPH-VWJSEBMVSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2)18-13-12-10(17-14(13)19-15)7-6-8-4-3-5-9(16)11(8)12/h8,10-14H,3-7H2,1-2H3/t8-,10+,11+,12-,13+,14+/m0/s1.
What are the key properties of (1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one?
(1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one has a molecular weight of 266.34 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7S,10R,12R,16R)-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadecan-3-one is sourced from PubChem (CID 10468126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).