[(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate

C14H23BrO2 — CID 5368967

IUPAC[(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate
SMILESCC(=O)OC/C=C(\C)CC/C=C(\C)CCCBr
InChIInChI=1S/C14H23BrO2/c1-12(8-5-10-15)6-4-7-13(2)9-11-17-14(3)16/h6,9H,4-5,7-8,10-11H2,1-3H3/b12-6+,13-9+
InChIKeyLMDIHGKMIQYNCM-IWFZMGPQSA-N
MW303.24 g/mol
LogP4.40
Rot. Bonds8

About [(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate

[(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate (PubChem CID 5368967) has the molecular formula C14H23BrO2 and a molecular weight of 303.24 g/mol. Its IUPAC name is [(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate.

Molecular Properties

Compound Name[(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate
PubChem CID5368967
Molecular FormulaC14H23BrO2
Molecular Weight303.24 g/mol
Exact Mass302.09
IUPAC Name[(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate
SMILESCC(=O)OC/C=C(\C)CC/C=C(\C)CCCBr
InChIInChI=1S/C14H23BrO2/c1-12(8-5-10-15)6-4-7-13(2)9-11-17-14(3)16/h6,9H,4-5,7-8,10-11H2,1-3H3/b12-6+,13-9+
InChIKeyLMDIHGKMIQYNCM-IWFZMGPQSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] 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

Geranyl Acetate
CID 1549026
Neryl acetate
CID 1549025
Neryl propionate
CID 5365982
Neryl isobutyrate
CID 5365991
Geranyl propionate
CID 5355853
Farnesyl acetate
CID 94403
Geranyl isobutyrate
CID 6086514
Ethyl 3,7-dimethylocta-2,6-dienoate
CID 114614
trans,trans-Farnesyl acetate
CID 638500
Ethyl 3,7-dimethyl-2,6-octadienoate
CID 5365917
4,8-Dimethyl-3,7-nonadien-2-ol acetate
CID 5365819
2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester
CID 5317247

Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate?
The IUPAC name of [(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate (CID 5368967) is [(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate.
What is the SMILES notation for [(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate?
The canonical SMILES for [(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate is CC(=O)OC/C=C(\C)CC/C=C(\C)CCCBr.
What is the InChIKey of [(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate?
The InChIKey is LMDIHGKMIQYNCM-IWFZMGPQSA-N. The full InChI is InChI=1S/C14H23BrO2/c1-12(8-5-10-15)6-4-7-13(2)9-11-17-14(3)16/h6,9H,4-5,7-8,10-11H2,1-3H3/b12-6+,13-9+.
What are the key properties of [(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate?
[(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate has a molecular weight of 303.24 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-10-bromo-3,7-dimethyldeca-2,6-dienyl] acetate is sourced from PubChem (CID 5368967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).