(Z)-1-chloro-12,12-dihexoxydodec-3-ene

C24H47ClO2 — CID 163205362

IUPAC(Z)-1-chloro-12,12-dihexoxydodec-3-ene
SMILESCCCCCCOC(CCCCCCC/C=C\CCCl)OCCCCCC
InChIInChI=1S/C24H47ClO2/c1-3-5-7-18-22-26-24(27-23-19-8-6-4-2)20-16-14-12-10-9-11-13-15-17-21-25/h13,15,24H,3-12,14,16-23H2,1-2H3/b15-13-
InChIKeyOMXXPRWNZJCOHA-SQFISAMPSA-N
MW403.09 g/mol
LogP8.42
Rot. Bonds22

About (Z)-1-chloro-12,12-dihexoxydodec-3-ene

(Z)-1-chloro-12,12-dihexoxydodec-3-ene (PubChem CID 163205362) has the molecular formula C24H47ClO2 and a molecular weight of 403.09 g/mol. Its IUPAC name is (Z)-1-chloro-12,12-dihexoxydodec-3-ene.

Molecular Properties

Compound Name(Z)-1-chloro-12,12-dihexoxydodec-3-ene
PubChem CID163205362
Molecular FormulaC24H47ClO2
Molecular Weight403.09 g/mol
Exact Mass402.33
IUPAC Name(Z)-1-chloro-12,12-dihexoxydodec-3-ene
SMILESCCCCCCOC(CCCCCCC/C=C\CCCl)OCCCCCC
InChIInChI=1S/C24H47ClO2/c1-3-5-7-18-22-26-24(27-23-19-8-6-4-2)20-16-14-12-10-9-11-13-15-17-21-25/h13,15,24H,3-12,14,16-23H2,1-2H3/b15-13-
InChIKeyOMXXPRWNZJCOHA-SQFISAMPSA-N
XLogP8.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.09
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-1-chloro-12,12-dihexoxydodec-3-ene 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

(Z)-1-chloro-14,14-dioctoxytetradec-3-ene
CID 163205372
(Z)-1-chloro-11,11-dioctoxyundec-4-ene
CID 165175011
(3E,5Z,9Z)-16,16-dioctoxyhexadeca-3,5,9-triene
CID 165377062
(Z)-12,12-didecoxy-1-iodododec-3-ene
CID 163205869
(Z)-13,13-dihexoxytridec-3-en-1-ol
CID 163205677
(Z)-13,13-diheptoxytridec-3-en-1-ol
CID 163205318
(Z)-1-bromo-12,12-di(nonoxy)dodec-3-ene
CID 163205524
1-(6-chloro-1-heptoxyhexoxy)heptane
CID 165175032
[(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide
CID 175312569
(5Z,7E)-1,1-diheptoxydodeca-5,7-diene
CID 170561608
(5Z,7E)-13-octoxy-13-[(6E,8Z)-1-octoxytrideca-6,8-dienoxy]trideca-5,7-diene
CID 162350463
(Z)-11,11-dibutoxyundec-3-en-1-ol
CID 163205863

Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-12,12-dihexoxydodec-3-ene?
The IUPAC name of (Z)-1-chloro-12,12-dihexoxydodec-3-ene (CID 163205362) is (Z)-1-chloro-12,12-dihexoxydodec-3-ene.
What is the SMILES notation for (Z)-1-chloro-12,12-dihexoxydodec-3-ene?
The canonical SMILES for (Z)-1-chloro-12,12-dihexoxydodec-3-ene is CCCCCCOC(CCCCCCC/C=C\CCCl)OCCCCCC.
What is the InChIKey of (Z)-1-chloro-12,12-dihexoxydodec-3-ene?
The InChIKey is OMXXPRWNZJCOHA-SQFISAMPSA-N. The full InChI is InChI=1S/C24H47ClO2/c1-3-5-7-18-22-26-24(27-23-19-8-6-4-2)20-16-14-12-10-9-11-13-15-17-21-25/h13,15,24H,3-12,14,16-23H2,1-2H3/b15-13-.
What are the key properties of (Z)-1-chloro-12,12-dihexoxydodec-3-ene?
(Z)-1-chloro-12,12-dihexoxydodec-3-ene has a molecular weight of 403.09 g/mol, XLogP of 8.42, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-12,12-dihexoxydodec-3-ene is sourced from PubChem (CID 163205362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).