(7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione

C15H20O5 — CID 162416833

IUPAC(7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione
SMILESC[C@@H]1CCC23OC(=O)CC12[C@@H](O)C1(C)C(=O)OCC13C
InChIInChI=1S/C15H20O5/c1-8-4-5-15-12(2)7-19-11(18)13(12,3)10(17)14(8,15)6-9(16)20-15/h8,10,17H,4-7H2,1-3H3/t8-,10+,12?,13?,14?,15?/m1/s1
InChIKeyFOZQQQAHWXEURQ-VEEZAXLKSA-N
MW280.32 g/mol
LogP1.03
Rot. Bonds

About (7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione

(7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione (PubChem CID 162416833) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione.

Molecular Properties

Compound Name(7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione
PubChem CID162416833
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione
SMILESC[C@@H]1CCC23OC(=O)CC12[C@@H](O)C1(C)C(=O)OCC13C
InChIInChI=1S/C15H20O5/c1-8-4-5-15-12(2)7-19-11(18)13(12,3)10(17)14(8,15)6-9(16)20-15/h8,10,17H,4-7H2,1-3H3/t8-,10+,12?,13?,14?,15?/m1/s1
InChIKeyFOZQQQAHWXEURQ-VEEZAXLKSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
The IUPAC name of (7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione (CID 162416833) is (7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione.
What is the SMILES notation for (7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
The canonical SMILES for (7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione is C[C@@H]1CCC23OC(=O)CC12[C@@H](O)C1(C)C(=O)OCC13C.
What is the InChIKey of (7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
The InChIKey is FOZQQQAHWXEURQ-VEEZAXLKSA-N. The full InChI is InChI=1S/C15H20O5/c1-8-4-5-15-12(2)7-19-11(18)13(12,3)10(17)14(8,15)6-9(16)20-15/h8,10,17H,4-7H2,1-3H3/t8-,10+,12?,13?,14?,15?/m1/s1.
What are the key properties of (7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione?
(7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione has a molecular weight of 280.32 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,14R)-7-hydroxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradecane-5,10-dione is sourced from PubChem (CID 162416833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).