14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione

C15H18O6 — CID 536790

IUPAC14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
SMILESCC(C)C1(O)C2OC(=O)C1C1CC3OC34C(=O)OC2C14C
InChIInChI=1S/C15H18O6/c1-5(2)14(18)8-6-4-7-15(21-7)12(17)20-9(13(6,15)3)10(14)19-11(8)16/h5-10,18H,4H2,1-3H3
InChIKeyKWIWYCTXLKBXIO-UHFFFAOYSA-N
MW294.30 g/mol
LogP0.02
Rot. Bonds1

About 14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione

14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione (PubChem CID 536790) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is 14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione.

Molecular Properties

Compound Name14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
PubChem CID536790
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
SMILESCC(C)C1(O)C2OC(=O)C1C1CC3OC34C(=O)OC2C14C
InChIInChI=1S/C15H18O6/c1-5(2)14(18)8-6-4-7-15(21-7)12(17)20-9(13(6,15)3)10(14)19-11(8)16/h5-10,18H,4H2,1-3H3
InChIKeyKWIWYCTXLKBXIO-UHFFFAOYSA-N
XLogP0.02
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione?
The IUPAC name of 14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione (CID 536790) is 14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione.
What is the SMILES notation for 14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione?
The canonical SMILES for 14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione is CC(C)C1(O)C2OC(=O)C1C1CC3OC34C(=O)OC2C14C.
What is the InChIKey of 14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione?
The InChIKey is KWIWYCTXLKBXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-5(2)14(18)8-6-4-7-15(21-7)12(17)20-9(13(6,15)3)10(14)19-11(8)16/h5-10,18H,4H2,1-3H3.
What are the key properties of 14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione?
14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione has a molecular weight of 294.30 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione is sourced from PubChem (CID 536790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).