(2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one

C24H36O4 — CID 11689621

IUPAC(2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one
SMILESCOC[C@H]1CC[C@@H]2/C1=C\[C@@]1(C)C(=O)CC(C(C)C)=C1[C@H]1OC(C)(C)O[C@@H]1[C@@H]2C
InChIInChI=1S/C24H36O4/c1-13(2)17-10-19(25)24(6)11-18-15(12-26-7)8-9-16(18)14(3)21-22(20(17)24)28-23(4,5)27-21/h11,13-16,21-22H,8-10,12H2,1-7H3/b18-11-/t14-,15-,16+,21-,22-,24+/m1/s1
InChIKeyIAHRZROQAPXNTM-MOYSUEKGSA-N
MW388.55 g/mol
LogP4.69
Rot. Bonds3

About (2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one

(2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one (PubChem CID 11689621) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol. Its IUPAC name is (2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one.

Molecular Properties

Compound Name(2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one
PubChem CID11689621
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Name(2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one
SMILESCOC[C@H]1CC[C@@H]2/C1=C\[C@@]1(C)C(=O)CC(C(C)C)=C1[C@H]1OC(C)(C)O[C@@H]1[C@@H]2C
InChIInChI=1S/C24H36O4/c1-13(2)17-10-19(25)24(6)11-18-15(12-26-7)8-9-16(18)14(3)21-22(20(17)24)28-23(4,5)27-21/h11,13-16,21-22H,8-10,12H2,1-7H3/b18-11-/t14-,15-,16+,21-,22-,24+/m1/s1
InChIKeyIAHRZROQAPXNTM-MOYSUEKGSA-N
XLogP4.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one?
The IUPAC name of (2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one (CID 11689621) is (2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one.
What is the SMILES notation for (2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one?
The canonical SMILES for (2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one is COC[C@H]1CC[C@@H]2/C1=C\[C@@]1(C)C(=O)CC(C(C)C)=C1[C@H]1OC(C)(C)O[C@@H]1[C@@H]2C.
What is the InChIKey of (2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one?
The InChIKey is IAHRZROQAPXNTM-MOYSUEKGSA-N. The full InChI is InChI=1S/C24H36O4/c1-13(2)17-10-19(25)24(6)11-18-15(12-26-7)8-9-16(18)14(3)21-22(20(17)24)28-23(4,5)27-21/h11,13-16,21-22H,8-10,12H2,1-7H3/b18-11-/t14-,15-,16+,21-,22-,24+/m1/s1.
What are the key properties of (2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one?
(2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one has a molecular weight of 388.55 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,7R,8S,11S,12E,14R)-11-(methoxymethyl)-4,4,7,14-tetramethyl-17-propan-2-yl-3,5-dioxatetracyclo[12.3.0.02,6.08,12]heptadeca-1(17),12-dien-15-one is sourced from PubChem (CID 11689621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).