(1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one

C16H20O3 — CID 162889907

IUPAC(1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one
SMILESCc1coc2c1[C@]1(C)OC(=O)[C@H]3CCC[C@H](C2)[C@@]31C
InChIInChI=1S/C16H20O3/c1-9-8-18-12-7-10-5-4-6-11-14(17)19-16(3,13(9)12)15(10,11)2/h8,10-11H,4-7H2,1-3H3/t10-,11-,15+,16+/m1/s1
InChIKeySAWOEDJTZNJWQJ-XYPYXGAPSA-N
MW260.33 g/mol
LogP3.34
Rot. Bonds

About (1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one

(1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one (PubChem CID 162889907) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one.

Molecular Properties

Compound Name(1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one
PubChem CID162889907
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one
SMILESCc1coc2c1[C@]1(C)OC(=O)[C@H]3CCC[C@H](C2)[C@@]31C
InChIInChI=1S/C16H20O3/c1-9-8-18-12-7-10-5-4-6-11-14(17)19-16(3,13(9)12)15(10,11)2/h8,10-11H,4-7H2,1-3H3/t10-,11-,15+,16+/m1/s1
InChIKeySAWOEDJTZNJWQJ-XYPYXGAPSA-N
XLogP3.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one?
The IUPAC name of (1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one (CID 162889907) is (1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one.
What is the SMILES notation for (1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one?
The canonical SMILES for (1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one is Cc1coc2c1[C@]1(C)OC(=O)[C@H]3CCC[C@H](C2)[C@@]31C.
What is the InChIKey of (1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one?
The InChIKey is SAWOEDJTZNJWQJ-XYPYXGAPSA-N. The full InChI is InChI=1S/C16H20O3/c1-9-8-18-12-7-10-5-4-6-11-14(17)19-16(3,13(9)12)15(10,11)2/h8,10-11H,4-7H2,1-3H3/t10-,11-,15+,16+/m1/s1.
What are the key properties of (1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one?
(1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one has a molecular weight of 260.33 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,12S,15S)-1,3,15-trimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-13-one is sourced from PubChem (CID 162889907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).