[(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate

C22H34O3 — CID 14137993

IUPAC[(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate
SMILESCC(=O)O[C@H]1C/C(C)=C/CC[C@@]2(C)O[C@@H]2CC/C(C)=C/C=C\1C(C)C
InChIInChI=1S/C22H34O3/c1-15(2)19-11-9-16(3)10-12-21-22(6,25-21)13-7-8-17(4)14-20(19)24-18(5)23/h8-9,11,15,20-21H,7,10,12-14H2,1-6H3/b16-9+,17-8+,19-11-/t20-,21+,22+/m0/s1
InChIKeyRTEQLOHRVQLSLS-LLGRKWFYSA-N
MW346.51 g/mol
LogP5.51
Rot. Bonds2

About [(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate

[(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate (PubChem CID 14137993) has the molecular formula C22H34O3 and a molecular weight of 346.51 g/mol. Its IUPAC name is [(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate.

Molecular Properties

Compound Name[(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate
PubChem CID14137993
Molecular FormulaC22H34O3
Molecular Weight346.51 g/mol
Exact Mass346.25
IUPAC Name[(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate
SMILESCC(=O)O[C@H]1C/C(C)=C/CC[C@@]2(C)O[C@@H]2CC/C(C)=C/C=C\1C(C)C
InChIInChI=1S/C22H34O3/c1-15(2)19-11-9-16(3)10-12-21-22(6,25-21)13-7-8-17(4)14-20(19)24-18(5)23/h8-9,11,15,20-21H,7,10,12-14H2,1-6H3/b16-9+,17-8+,19-11-/t20-,21+,22+/m0/s1
InChIKeyRTEQLOHRVQLSLS-LLGRKWFYSA-N
XLogP5.51
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

Methoprene
CID 5366546
S-Methoprene
CID 1711973
Sarcophine
CID 6436805
Methyl (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethyl-2,6-nonadienoate
CID 5367549
(+)-Juvenile hormone III
CID 5281523
Juvenile Hormone II
CID 5459796
Flaccidoxide-13-Acetate
CID 10573301
Lobophynin A
CID 10688953
Gibberosene D
CID 24801756
Knightol Acetate
CID 44481239
[(1R,4E,6S,7R,10E,14R)-6-acetyloxy-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate
CID 44481240
5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate
CID 5951297

Frequently Asked Questions

What is the IUPAC name of [(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate?
The IUPAC name of [(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate (CID 14137993) is [(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate.
What is the SMILES notation for [(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate?
The canonical SMILES for [(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate is CC(=O)O[C@H]1C/C(C)=C/CC[C@@]2(C)O[C@@H]2CC/C(C)=C/C=C\1C(C)C.
What is the InChIKey of [(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate?
The InChIKey is RTEQLOHRVQLSLS-LLGRKWFYSA-N. The full InChI is InChI=1S/C22H34O3/c1-15(2)19-11-9-16(3)10-12-21-22(6,25-21)13-7-8-17(4)14-20(19)24-18(5)23/h8-9,11,15,20-21H,7,10,12-14H2,1-6H3/b16-9+,17-8+,19-11-/t20-,21+,22+/m0/s1.
What are the key properties of [(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate?
[(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate has a molecular weight of 346.51 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4E,7S,8Z,10E,14R)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-7-yl] acetate is sourced from PubChem (CID 14137993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).