(1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione

C16H22O4 — CID 46938757

IUPAC(1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione
SMILESC[C@@]12CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]4(C)OC(=O)C[C@H]14)[C@H]23
InChIInChI=1S/C16H22O4/c1-14-5-4-6-15(2)12(14)9(19-13(15)18)8-16(3)10(14)7-11(17)20-16/h9-10,12H,4-8H2,1-3H3/t9-,10+,12+,14+,15+,16+/m0/s1
InChIKeyDJAOAMDRXOFIBC-XACRPEKWSA-N
MW278.35 g/mol
LogP2.45
Rot. Bonds

About (1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione

(1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione (PubChem CID 46938757) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione.

Molecular Properties

Compound Name(1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione
PubChem CID46938757
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name(1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione
SMILESC[C@@]12CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]4(C)OC(=O)C[C@H]14)[C@H]23
InChIInChI=1S/C16H22O4/c1-14-5-4-6-15(2)12(14)9(19-13(15)18)8-16(3)10(14)7-11(17)20-16/h9-10,12H,4-8H2,1-3H3/t9-,10+,12+,14+,15+,16+/m0/s1
InChIKeyDJAOAMDRXOFIBC-XACRPEKWSA-N
XLogP2.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione?
The IUPAC name of (1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione (CID 46938757) is (1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione.
What is the SMILES notation for (1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione?
The canonical SMILES for (1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione is C[C@@]12CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]4(C)OC(=O)C[C@H]14)[C@H]23.
What is the InChIKey of (1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione?
The InChIKey is DJAOAMDRXOFIBC-XACRPEKWSA-N. The full InChI is InChI=1S/C16H22O4/c1-14-5-4-6-15(2)12(14)9(19-13(15)18)8-16(3)10(14)7-11(17)20-16/h9-10,12H,4-8H2,1-3H3/t9-,10+,12+,14+,15+,16+/m0/s1.
What are the key properties of (1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione?
(1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione has a molecular weight of 278.35 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,8S,11R,15R)-1,6,11-trimethyl-5,9-dioxatetracyclo[6.6.1.02,6.011,15]pentadecane-4,10-dione is sourced from PubChem (CID 46938757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).