(7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one

C23H34O3 — CID 11245298

IUPAC(7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one
SMILESCC(C)[C@H]1CC(=O)C2=CC3=C4COC(C)(C)O[C@H]4CC[C@@]3(C)CC[C@@]21C
InChIInChI=1S/C23H34O3/c1-14(2)16-12-19(24)18-11-17-15-13-25-21(3,4)26-20(15)7-8-22(17,5)9-10-23(16,18)6/h11,14,16,20H,7-10,12-13H2,1-6H3/t16-,20+,22+,23-/m1/s1
InChIKeyGANBMESWTQFUQP-LNKMKMDRSA-N
MW358.52 g/mol
LogP5.21
Rot. Bonds1

About (7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one

(7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one (PubChem CID 11245298) has the molecular formula C23H34O3 and a molecular weight of 358.52 g/mol. Its IUPAC name is (7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one.

Molecular Properties

Compound Name(7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one
PubChem CID11245298
Molecular FormulaC23H34O3
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name(7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one
SMILESCC(C)[C@H]1CC(=O)C2=CC3=C4COC(C)(C)O[C@H]4CC[C@@]3(C)CC[C@@]21C
InChIInChI=1S/C23H34O3/c1-14(2)16-12-19(24)18-11-17-15-13-25-21(3,4)26-20(15)7-8-22(17,5)9-10-23(16,18)6/h11,14,16,20H,7-10,12-13H2,1-6H3/t16-,20+,22+,23-/m1/s1
InChIKeyGANBMESWTQFUQP-LNKMKMDRSA-N
XLogP5.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one?
The IUPAC name of (7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one (CID 11245298) is (7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one.
What is the SMILES notation for (7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one?
The canonical SMILES for (7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one is CC(C)[C@H]1CC(=O)C2=CC3=C4COC(C)(C)O[C@H]4CC[C@@]3(C)CC[C@@]21C.
What is the InChIKey of (7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one?
The InChIKey is GANBMESWTQFUQP-LNKMKMDRSA-N. The full InChI is InChI=1S/C23H34O3/c1-14(2)16-12-19(24)18-11-17-15-13-25-21(3,4)26-20(15)7-8-22(17,5)9-10-23(16,18)6/h11,14,16,20H,7-10,12-13H2,1-6H3/t16-,20+,22+,23-/m1/s1.
What are the key properties of (7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one?
(7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one has a molecular weight of 358.52 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10R,13R,14R)-5,5,10,13-tetramethyl-14-propan-2-yl-4,6-dioxatetracyclo[8.8.0.02,7.013,17]octadeca-1,17-dien-16-one is sourced from PubChem (CID 11245298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).