(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene

C20H33I — CID 175339928

IUPAC(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
SMILESCC(C)=CCC/C(C)=C/CCC(C)=CCC/C(C)=C/CI
InChIInChI=1S/C20H33I/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13?,20-15+
InChIKeyMMDOUKMWOVPCSO-DYCNYEKWSA-N
MW400.39 g/mol
LogP7.57
Rot. Bonds10

About (2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene

(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene (PubChem CID 175339928) has the molecular formula C20H33I and a molecular weight of 400.39 g/mol. Its IUPAC name is (2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene.

Molecular Properties

Compound Name(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
PubChem CID175339928
Molecular FormulaC20H33I
Molecular Weight400.39 g/mol
Exact Mass400.16
IUPAC Name(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
SMILESCC(C)=CCC/C(C)=C/CCC(C)=CCC/C(C)=C/CI
InChIInChI=1S/C20H33I/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13?,20-15+
InChIKeyMMDOUKMWOVPCSO-DYCNYEKWSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.39
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene 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

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
1-bromo-2,6,10-trimethylundeca-1,5,9-triene
CID 86044295
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene
CID 174355768
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438

Frequently Asked Questions

What is the IUPAC name of (2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The IUPAC name of (2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene (CID 175339928) is (2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene.
What is the SMILES notation for (2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The canonical SMILES for (2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene is CC(C)=CCC/C(C)=C/CCC(C)=CCC/C(C)=C/CI.
What is the InChIKey of (2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The InChIKey is MMDOUKMWOVPCSO-DYCNYEKWSA-N. The full InChI is InChI=1S/C20H33I/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13?,20-15+.
What are the key properties of (2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene has a molecular weight of 400.39 g/mol, XLogP of 7.57, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene is sourced from PubChem (CID 175339928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).