(3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene

C16H27F — CID 167060574

IUPAC(3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene
SMILESC=C(C(/C=C(\CC)C(C)C)=C(\F)CC)C(C)C
InChIInChI=1S/C16H27F/c1-8-14(12(5)6)10-15(16(17)9-2)13(7)11(3)4/h10-12H,7-9H2,1-6H3/b14-10+,16-15-
InChIKeyUHOKPJWNVFSMLR-MOGNNOCJSA-N
MW238.39 g/mol
LogP5.82
Rot. Bonds6

About (3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene

(3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene (PubChem CID 167060574) has the molecular formula C16H27F and a molecular weight of 238.39 g/mol. Its IUPAC name is (3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene.

Molecular Properties

Compound Name(3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene
PubChem CID167060574
Molecular FormulaC16H27F
Molecular Weight238.39 g/mol
Exact Mass238.21
IUPAC Name(3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene
SMILESC=C(C(/C=C(\CC)C(C)C)=C(\F)CC)C(C)C
InChIInChI=1S/C16H27F/c1-8-14(12(5)6)10-15(16(17)9-2)13(7)11(3)4/h10-12H,7-9H2,1-6H3/b14-10+,16-15-
InChIKeyUHOKPJWNVFSMLR-MOGNNOCJSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.39
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene 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

(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
(Z)-3,4-difluorohex-3-ene
CID 143535367
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(E)-2,4-difluoro-3-propan-2-ylhex-3-ene
CID 142932194
(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
CID 145319399
N-[(Z)-2-ethyl-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 145384898
N-ethenyl-5-methyl-4-methylidenehexan-3-imine
CID 177170143
5-ethyl-3,6-dimethylhepta-1,4-diene
CID 123520115
2,3-difluoro-5-methyl-4-methylidenehex-2-ene
CID 123737950
N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide
CID 165130850
(3Z)-4-propan-2-ylhepta-1,3-dien-2-amine
CID 129269311
(5Z)-4-methylidene-6-propan-2-ylocta-5,7-dien-3-one
CID 142046409

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene?
The IUPAC name of (3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene (CID 167060574) is (3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene.
What is the SMILES notation for (3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene?
The canonical SMILES for (3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene is C=C(C(/C=C(\CC)C(C)C)=C(\F)CC)C(C)C.
What is the InChIKey of (3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene?
The InChIKey is UHOKPJWNVFSMLR-MOGNNOCJSA-N. The full InChI is InChI=1S/C16H27F/c1-8-14(12(5)6)10-15(16(17)9-2)13(7)11(3)4/h10-12H,7-9H2,1-6H3/b14-10+,16-15-.
What are the key properties of (3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene?
(3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene has a molecular weight of 238.39 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene is sourced from PubChem (CID 167060574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).