(1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione

C15H20O5 — CID 163014345

IUPAC(1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione
SMILESCC1=C2CC[C@@](C)(O)[C@@H]3CCC(=O)O[C@@]3(C)[C@@H]2OC1=O
InChIInChI=1S/C15H20O5/c1-8-9-6-7-14(2,18)10-4-5-11(16)20-15(10,3)12(9)19-13(8)17/h10,12,18H,4-7H2,1-3H3/t10-,12+,14+,15+/m0/s1
InChIKeyRDLLMKZWCBKKMZ-QMGNLALYSA-N
MW280.32 g/mol
LogP1.49
Rot. Bonds

About (1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione

(1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione (PubChem CID 163014345) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione.

Molecular Properties

Compound Name(1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione
PubChem CID163014345
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione
SMILESCC1=C2CC[C@@](C)(O)[C@@H]3CCC(=O)O[C@@]3(C)[C@@H]2OC1=O
InChIInChI=1S/C15H20O5/c1-8-9-6-7-14(2,18)10-4-5-11(16)20-15(10,3)12(9)19-13(8)17/h10,12,18H,4-7H2,1-3H3/t10-,12+,14+,15+/m0/s1
InChIKeyRDLLMKZWCBKKMZ-QMGNLALYSA-N
XLogP1.49
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione with MolForge

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Related Compounds

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CID 162914696
(1R,2S,9R,14R,15S)-2,15-dihydroxy-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-dien-7-one
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5,6,6-trimethyloxan-2-one
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(3aS,8S,8aR)-8-hydroxy-1,3a,5,8-tetramethyl-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan-2-one
CID 163087325
5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-2-one
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CID 177499874
[(6S,7E,10R,14E,15aR)-11-chloro-10-hydroxy-3,6,10,14-tetramethyl-2-oxo-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-6-yl] acetate
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6-butan-2-yl-3,6-dimethyl-4,5,7,7a-tetrahydro-1-benzofuran-2-one
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6-hydroxy-3,6,9a-trimethyl-3,3a,4,5,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
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(4R,6R,9Z,11R,13E,15S)-11-hydroperoxy-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-trien-17-one
CID 163112868
(4R,6R,9E,11R,13E,15S)-11-hydroperoxy-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-trien-17-one
CID 163112867

Frequently Asked Questions

What is the IUPAC name of (1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione?
The IUPAC name of (1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione (CID 163014345) is (1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione.
What is the SMILES notation for (1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione?
The canonical SMILES for (1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione is CC1=C2CC[C@@](C)(O)[C@@H]3CCC(=O)O[C@@]3(C)[C@@H]2OC1=O.
What is the InChIKey of (1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione?
The InChIKey is RDLLMKZWCBKKMZ-QMGNLALYSA-N. The full InChI is InChI=1S/C15H20O5/c1-8-9-6-7-14(2,18)10-4-5-11(16)20-15(10,3)12(9)19-13(8)17/h10,12,18H,4-7H2,1-3H3/t10-,12+,14+,15+/m0/s1.
What are the key properties of (1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione?
(1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione has a molecular weight of 280.32 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione is sourced from PubChem (CID 163014345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).