(4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione

C15H18O4 — CID 163196508

IUPAC(4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione
SMILESCC1(C)/C=C/C(=O)[C@@]2(C)O[C@H]2CCC2=C[C@@H]1OC2=O
InChIInChI=1S/C15H18O4/c1-14(2)7-6-10(16)15(3)11(19-15)5-4-9-8-12(14)18-13(9)17/h6-8,11-12H,4-5H2,1-3H3/b7-6+/t11-,12-,15+/m0/s1
InChIKeyBACLGEOXUFGEJY-LCYRGTSKSA-N
MW262.31 g/mol
LogP1.94
Rot. Bonds

About (4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione

(4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione (PubChem CID 163196508) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione.

Molecular Properties

Compound Name(4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione
PubChem CID163196508
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione
SMILESCC1(C)/C=C/C(=O)[C@@]2(C)O[C@H]2CCC2=C[C@@H]1OC2=O
InChIInChI=1S/C15H18O4/c1-14(2)7-6-10(16)15(3)11(19-15)5-4-9-8-12(14)18-13(9)17/h6-8,11-12H,4-5H2,1-3H3/b7-6+/t11-,12-,15+/m0/s1
InChIKeyBACLGEOXUFGEJY-LCYRGTSKSA-N
XLogP1.94
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione with MolForge

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Related Compounds

Bipinnatin P
CID 24853540
Lobophynin C
CID 10760017
11-Dehydrosinulariolide
CID 137628341
Isoepoxylophodione
CID 16099477
(+)-Miliusane Xii/Xiii
CID 44406800
Bipinnapterolide A
CID 10689865
(4S,6S,8Z,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione
CID 134148181
Crassocolide N
CID 54764414
[(1S,3S,5R,6Z,10R,11S,15S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.03,5]pentadeca-6,12-dien-10-yl] butanoate
CID 10503539
(4S,5S,7Z,10S)-4-ethoxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione
CID 132566255
(4S,5S,7Z,10S)-4-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),7-diene-6,12-dione
CID 134152423
(4R,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione
CID 168282148

Frequently Asked Questions

What is the IUPAC name of (4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione?
The IUPAC name of (4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione (CID 163196508) is (4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione.
What is the SMILES notation for (4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione?
The canonical SMILES for (4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione is CC1(C)/C=C/C(=O)[C@@]2(C)O[C@H]2CCC2=C[C@@H]1OC2=O.
What is the InChIKey of (4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione?
The InChIKey is BACLGEOXUFGEJY-LCYRGTSKSA-N. The full InChI is InChI=1S/C15H18O4/c1-14(2)7-6-10(16)15(3)11(19-15)5-4-9-8-12(14)18-13(9)17/h6-8,11-12H,4-5H2,1-3H3/b7-6+/t11-,12-,15+/m0/s1.
What are the key properties of (4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione?
(4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione has a molecular weight of 262.31 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S,8E,11S)-6,10,10-trimethyl-5,12-dioxatricyclo[9.2.1.04,6]tetradeca-1(14),8-diene-7,13-dione is sourced from PubChem (CID 163196508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).