(1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione

C15H20O4 — CID 135066788

IUPAC(1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
SMILESCC1(C)C[C@]2(C)CC(=O)OC3OC(=O)C4CC[C@@H]1C342
InChIInChI=1S/C15H20O4/c1-13(2)7-14(3)6-10(16)18-12-15(14)8(11(17)19-12)4-5-9(13)15/h8-9,12H,4-7H2,1-3H3/t8?,9-,12?,14-,15?/m0/s1
InChIKeyNGAMYGLHRNCUQC-YWEVSLBFSA-N
MW264.32 g/mol
LogP2.27
Rot. Bonds

About (1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione

(1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione (PubChem CID 135066788) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione.

Molecular Properties

Compound Name(1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
PubChem CID135066788
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
SMILESCC1(C)C[C@]2(C)CC(=O)OC3OC(=O)C4CC[C@@H]1C342
InChIInChI=1S/C15H20O4/c1-13(2)7-14(3)6-10(16)18-12-15(14)8(11(17)19-12)4-5-9(13)15/h8-9,12H,4-7H2,1-3H3/t8?,9-,12?,14-,15?/m0/s1
InChIKeyNGAMYGLHRNCUQC-YWEVSLBFSA-N
XLogP2.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione with MolForge

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Related Compounds

Penifulvin A
CID 42604589
Penifulvin B
CID 11994451
Penifulvin E
CID 11994448
8,10,10-Trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 73069238
Penifulvin C
CID 11994447
10-(Hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 73172459
13-Hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 73172460
(1R,4S,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 11708730
(1R,4R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 134942174
(1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 138965956
(4S,7S,10R)-4,6,6-trimethyl-2,12-dioxatetracyclo[5.5.1.04,13.010,13]tridecane-3,11-dione
CID 176421451
4,6,12-Trioxatetracyclo[8.3.2.12,8.01,9]hexadecane-7,11,13-trione
CID 130280331

Frequently Asked Questions

What is the IUPAC name of (1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The IUPAC name of (1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione (CID 135066788) is (1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione.
What is the SMILES notation for (1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The canonical SMILES for (1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione is CC1(C)C[C@]2(C)CC(=O)OC3OC(=O)C4CC[C@@H]1C342.
What is the InChIKey of (1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
The InChIKey is NGAMYGLHRNCUQC-YWEVSLBFSA-N. The full InChI is InChI=1S/C15H20O4/c1-13(2)7-14(3)6-10(16)18-12-15(14)8(11(17)19-12)4-5-9(13)15/h8-9,12H,4-7H2,1-3H3/t8?,9-,12?,14-,15?/m0/s1.
What are the key properties of (1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione?
(1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione has a molecular weight of 264.32 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,11S)-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione is sourced from PubChem (CID 135066788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).