1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone

C19H28O2 — CID 138404381

IUPAC1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone
SMILESCC(=O)/C1=C/C2OC2(C)CC/C=C(\C)CC/C=C(/C)CC1
InChIInChI=1S/C19H28O2/c1-14-7-5-8-15(2)10-11-17(16(3)20)13-18-19(4,21-18)12-6-9-14/h8-9,13,18H,5-7,10-12H2,1-4H3/b14-9+,15-8-,17-13+
InChIKeyOOUAMFIGDJHZPY-LQKLJAAOSA-N
MW288.43 g/mol
LogP4.91
Rot. Bonds1

About 1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone

1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone (PubChem CID 138404381) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone
PubChem CID138404381
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone
SMILESCC(=O)/C1=C/C2OC2(C)CC/C=C(\C)CC/C=C(/C)CC1
InChIInChI=1S/C19H28O2/c1-14-7-5-8-15(2)10-11-17(16(3)20)13-18-19(4,21-18)12-6-9-14/h8-9,13,18H,5-7,10-12H2,1-4H3/b14-9+,15-8-,17-13+
InChIKeyOOUAMFIGDJHZPY-LQKLJAAOSA-N
XLogP4.91
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone 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

Flexusine B
CID 162901561
butyl (2Z)-2-[(1R,4E,10E,14R)-4,10,14-trimethyl-6-oxo-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-ylidene]propanoate
CID 44179845
(1S,2Z,6E,10E,14R)-6,10,14-trimethyl-3-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
CID 102393973
(1S,2Z,6Z,10E,14S)-6,10,14-trimethyl-3-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
CID 162901560
6,10-Dimethyl-5,6-epoxy-3-ethoxycarbonylundeca-3,9-dien-2-one
CID 85441289
Lvhxgezubbpilw-jlhyyagusa-
CID 12558936
(2S,3R)-2-hexyl-5-propyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 71507136
(1E,7E,11E)-1-Acetyl-3,4-epoxy-4,8,12-trimethylcyclotetrdecatriene
CID 134755892
Methyl 2-ethyl-9-(3-ethyl-3-methyloxiran-2-yl)-3-methylnona-2,6-dienoate
CID 54290757
(4Z,10E)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one
CID 88782700
(4E,10Z)-4,10,14-trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one
CID 88782701
4,10,14-Trimethyl-7-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-one
CID 152350690

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone?
The IUPAC name of 1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone (CID 138404381) is 1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone.
What is the SMILES notation for 1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone?
The canonical SMILES for 1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone is CC(=O)/C1=C/C2OC2(C)CC/C=C(\C)CC/C=C(/C)CC1.
What is the InChIKey of 1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone?
The InChIKey is OOUAMFIGDJHZPY-LQKLJAAOSA-N. The full InChI is InChI=1S/C19H28O2/c1-14-7-5-8-15(2)10-11-17(16(3)20)13-18-19(4,21-18)12-6-9-14/h8-9,13,18H,5-7,10-12H2,1-4H3/b14-9+,15-8-,17-13+.
What are the key properties of 1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone?
1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone has a molecular weight of 288.43 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6Z,10E)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-3-yl]ethanone is sourced from PubChem (CID 138404381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).