(2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene

C16H27ClO2 — CID 19844970

IUPAC(2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene
SMILESC/C=C/CC/C(C)=C/CC/C(=C/CCl)C(OC)OC
InChIInChI=1S/C16H27ClO2/c1-5-6-7-9-14(2)10-8-11-15(12-13-17)16(18-3)19-4/h5-6,10,12,16H,7-9,11,13H2,1-4H3/b6-5+,14-10+,15-12-
InChIKeyVUFIOAXTMHSNOE-VJHOIWKSSA-N
MW286.84 g/mol
LogP4.85
Rot. Bonds10

About (2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene

(2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene (PubChem CID 19844970) has the molecular formula C16H27ClO2 and a molecular weight of 286.84 g/mol. Its IUPAC name is (2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene.

Molecular Properties

Compound Name(2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene
PubChem CID19844970
Molecular FormulaC16H27ClO2
Molecular Weight286.84 g/mol
Exact Mass286.17
IUPAC Name(2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene
SMILESC/C=C/CC/C(C)=C/CC/C(=C/CCl)C(OC)OC
InChIInChI=1S/C16H27ClO2/c1-5-6-7-9-14(2)10-8-11-15(12-13-17)16(18-3)19-4/h5-6,10,12,16H,7-9,11,13H2,1-4H3/b6-5+,14-10+,15-12-
InChIKeyVUFIOAXTMHSNOE-VJHOIWKSSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.84
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene 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

(5Z,9E)-6-(dimethoxymethyl)-1,1-dimethoxy-10,14-dimethylpentadeca-5,9,13-trien-2-one
CID 19844979
(2Z,6E,10E,14E,18E,22Z)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene
CID 102073218
(5E,9E)-1,1-dimethoxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 23466447
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene
CID 54386558
6,11-dimethyltrideca-2,6,10-triene
CID 139931040
(11Z)-6,10-dimethyltrideca-2,6,11-triene
CID 91509510
3-methylocta-2,6-dien-1-ol
CID 57183202
(6E)-9-chloro-2,6-dimethylnona-2,6-diene
CID 101240427
(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
CID 118038499
3-methyldodeca-2,6,10-trien-1-ol
CID 57126192

Frequently Asked Questions

What is the IUPAC name of (2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene?
The IUPAC name of (2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene (CID 19844970) is (2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene.
What is the SMILES notation for (2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene?
The canonical SMILES for (2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene is C/C=C/CC/C(C)=C/CC/C(=C/CCl)C(OC)OC.
What is the InChIKey of (2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene?
The InChIKey is VUFIOAXTMHSNOE-VJHOIWKSSA-N. The full InChI is InChI=1S/C16H27ClO2/c1-5-6-7-9-14(2)10-8-11-15(12-13-17)16(18-3)19-4/h5-6,10,12,16H,7-9,11,13H2,1-4H3/b6-5+,14-10+,15-12-.
What are the key properties of (2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene?
(2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene has a molecular weight of 286.84 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E,10E)-1-chloro-3-(dimethoxymethyl)-7-methyldodeca-2,6,10-triene is sourced from PubChem (CID 19844970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).