(1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione

C17H24O5 — CID 11034190

IUPAC(1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione
SMILESCC1(C)O[C@@H]2[C@H](O1)C(=O)C1C(=O)O[C@H]3CCC(C)(C)[C@H]2[C@@]13C
InChIInChI=1S/C17H24O5/c1-15(2)7-6-8-17(5)9(14(19)20-8)10(18)11-12(13(15)17)22-16(3,4)21-11/h8-9,11-13H,6-7H2,1-5H3/t8-,9?,11+,12+,13-,17+/m0/s1
InChIKeyPQRXKKCNZFJLLL-CFWPZIEQSA-N
MW308.37 g/mol
LogP2.07
Rot. Bonds

About (1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione

(1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione (PubChem CID 11034190) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is (1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione.

Molecular Properties

Compound Name(1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione
PubChem CID11034190
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name(1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione
SMILESCC1(C)O[C@@H]2[C@H](O1)C(=O)C1C(=O)O[C@H]3CCC(C)(C)[C@H]2[C@@]13C
InChIInChI=1S/C17H24O5/c1-15(2)7-6-8-17(5)9(14(19)20-8)10(18)11-12(13(15)17)22-16(3,4)21-11/h8-9,11-13H,6-7H2,1-5H3/t8-,9?,11+,12+,13-,17+/m0/s1
InChIKeyPQRXKKCNZFJLLL-CFWPZIEQSA-N
XLogP2.07
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione?
The IUPAC name of (1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione (CID 11034190) is (1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione.
What is the SMILES notation for (1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione?
The canonical SMILES for (1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione is CC1(C)O[C@@H]2[C@H](O1)C(=O)C1C(=O)O[C@H]3CCC(C)(C)[C@H]2[C@@]13C.
What is the InChIKey of (1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione?
The InChIKey is PQRXKKCNZFJLLL-CFWPZIEQSA-N. The full InChI is InChI=1S/C17H24O5/c1-15(2)7-6-8-17(5)9(14(19)20-8)10(18)11-12(13(15)17)22-16(3,4)21-11/h8-9,11-13H,6-7H2,1-5H3/t8-,9?,11+,12+,13-,17+/m0/s1.
What are the key properties of (1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione?
(1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione has a molecular weight of 308.37 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,11S,15S)-4,4,14,14,15-pentamethyl-3,5,10-trioxatetracyclo[6.6.1.02,6.011,15]pentadecane-7,9-dione is sourced from PubChem (CID 11034190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).