(7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene

C23H34O2 — CID 162418399

IUPAC(7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene
SMILESCC(C)C1=CCC2=CC3=C4COC(C)(C)O[C@H]4CC[C@@]3(C)CC[C@@]21C
InChIInChI=1S/C23H34O2/c1-15(2)18-8-7-16-13-19-17-14-24-21(3,4)25-20(17)9-10-22(19,5)11-12-23(16,18)6/h8,13,15,20H,7,9-12,14H2,1-6H3/t20-,22-,23-/m0/s1
InChIKeyOGNTWFMPYPDGHS-PMVMPFDFSA-N
MW342.52 g/mol
LogP5.95
Rot. Bonds1

About (7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene

(7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene (PubChem CID 162418399) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is (7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene.

Molecular Properties

Compound Name(7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene
PubChem CID162418399
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name(7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene
SMILESCC(C)C1=CCC2=CC3=C4COC(C)(C)O[C@H]4CC[C@@]3(C)CC[C@@]21C
InChIInChI=1S/C23H34O2/c1-15(2)18-8-7-16-13-19-17-14-24-21(3,4)25-20(17)9-10-22(19,5)11-12-23(16,18)6/h8,13,15,20H,7,9-12,14H2,1-6H3/t20-,22-,23-/m0/s1
InChIKeyOGNTWFMPYPDGHS-PMVMPFDFSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene?
The IUPAC name of (7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene (CID 162418399) is (7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene.
What is the SMILES notation for (7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene?
The canonical SMILES for (7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene is CC(C)C1=CCC2=CC3=C4COC(C)(C)O[C@H]4CC[C@@]3(C)CC[C@@]21C.
What is the InChIKey of (7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene?
The InChIKey is OGNTWFMPYPDGHS-PMVMPFDFSA-N. The full InChI is InChI=1S/C23H34O2/c1-15(2)18-8-7-16-13-19-17-14-24-21(3,4)25-20(17)9-10-22(19,5)11-12-23(16,18)6/h8,13,15,20H,7,9-12,14H2,1-6H3/t20-,22-,23-/m0/s1.
What are the key properties of (7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene?
(7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene has a molecular weight of 342.52 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10R,13S)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,14,17-triene is sourced from PubChem (CID 162418399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).