(3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate

C17H26O2 — CID 73407320

IUPAC(3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate
SMILESC=CC(C)=CCC(OC(C)=O)C(=C)CCC=C(C)C
InChIInChI=1S/C17H26O2/c1-7-14(4)11-12-17(19-16(6)18)15(5)10-8-9-13(2)3/h7,9,11,17H,1,5,8,10,12H2,2-4,6H3
InChIKeyAPGBIBLWIBJPQD-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.74
Rot. Bonds8

About (3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate

(3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate (PubChem CID 73407320) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate.

Molecular Properties

Compound Name(3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate
PubChem CID73407320
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate
SMILESC=CC(C)=CCC(OC(C)=O)C(=C)CCC=C(C)C
InChIInChI=1S/C17H26O2/c1-7-14(4)11-12-17(19-16(6)18)15(5)10-8-9-13(2)3/h7,9,11,17H,1,5,8,10,12H2,2-4,6H3
InChIKeyAPGBIBLWIBJPQD-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-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

3-N-Butyl-4,5-Dihydrophthalide
CID 173843
3-N-butyl-4,5-dihydrophthalide, (S)-
CID 3085257
[(3E)-3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl] acetate
CID 10491749
[(6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-4-yl] acetate
CID 10730218
1,5,7-Octatrien-3-ol, 2,6-dimethyl-, 3-acetate, (5E)-
CID 6437751
[(2E,8E,10E,14S)-14-acetyloxyheptadeca-2,8,10-trien-4,6-diynyl] acetate
CID 122184839
[(2Z)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
CID 101499971
[(1Z,3Z,5R,7E,11E)-5-acetyloxy-7,11-dimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraen-1-yl]methyl acetate
CID 162955119
(R)-3-Butyl-4,5-dihydroisobenzofuran-1(3H)-one
CID 54753664
[6-Methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
CID 74401869
(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate
CID 101413668
5-Methylidene-6-pentylpyran-2-one
CID 25187962

Frequently Asked Questions

What is the IUPAC name of (3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate?
The IUPAC name of (3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate (CID 73407320) is (3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate.
What is the SMILES notation for (3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate?
The canonical SMILES for (3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate is C=CC(C)=CCC(OC(C)=O)C(=C)CCC=C(C)C.
What is the InChIKey of (3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate?
The InChIKey is APGBIBLWIBJPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-7-14(4)11-12-17(19-16(6)18)15(5)10-8-9-13(2)3/h7,9,11,17H,1,5,8,10,12H2,2-4,6H3.
What are the key properties of (3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate?
(3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate has a molecular weight of 262.39 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl) acetate is sourced from PubChem (CID 73407320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).