(1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one

C19H30O5 — CID 134882918

IUPAC(1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one
SMILESC[C@H]1COC(=O)CC[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]2[C@@H](C)C[C@H]2O[C@H]12
InChIInChI=1S/C19H30O5/c1-11-9-13-16(22-13)12(2)10-21-15(20)6-8-18(3)14(23-18)5-7-19(4)17(11)24-19/h11-14,16-17H,5-10H2,1-4H3/t11-,12-,13+,14+,16+,17+,18+,19+/m0/s1
InChIKeyJLICEMWGQFJZBJ-JLFJPKFDSA-N
MW338.44 g/mol
LogP2.85
Rot. Bonds

About (1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one

(1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one (PubChem CID 134882918) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is (1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one.

Molecular Properties

Compound Name(1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one
PubChem CID134882918
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name(1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one
SMILESC[C@H]1COC(=O)CC[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]2[C@@H](C)C[C@H]2O[C@H]12
InChIInChI=1S/C19H30O5/c1-11-9-13-16(22-13)12(2)10-21-15(20)6-8-18(3)14(23-18)5-7-19(4)17(11)24-19/h11-14,16-17H,5-10H2,1-4H3/t11-,12-,13+,14+,16+,17+,18+,19+/m0/s1
InChIKeyJLICEMWGQFJZBJ-JLFJPKFDSA-N
XLogP2.85
TPSA63.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one?
The IUPAC name of (1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one (CID 134882918) is (1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one.
What is the SMILES notation for (1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one?
The canonical SMILES for (1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one is C[C@H]1COC(=O)CC[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]2[C@@H](C)C[C@H]2O[C@H]12.
What is the InChIKey of (1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one?
The InChIKey is JLICEMWGQFJZBJ-JLFJPKFDSA-N. The full InChI is InChI=1S/C19H30O5/c1-11-9-13-16(22-13)12(2)10-21-15(20)6-8-18(3)14(23-18)5-7-19(4)17(11)24-19/h11-14,16-17H,5-10H2,1-4H3/t11-,12-,13+,14+,16+,17+,18+,19+/m0/s1.
What are the key properties of (1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one?
(1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one has a molecular weight of 338.44 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6R,7S,9R,11R,12S,18R)-4,7,12,18-tetramethyl-5,10,14,19-tetraoxatetracyclo[16.1.0.04,6.09,11]nonadecan-15-one is sourced from PubChem (CID 134882918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).