(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene

C16H26 — CID 143192924

IUPAC(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene
SMILESCCCCCCC1=C/CC(C)/C=C/C(C)=C\1
InChIInChI=1S/C16H26/c1-4-5-6-7-8-16-12-11-14(2)9-10-15(3)13-16/h9-10,12-14H,4-8,11H2,1-3H3/b10-9-,15-13-,16-12-
InChIKeyNDLAEMPUUJSQJB-UKASGLFGSA-N
MW218.38 g/mol
LogP5.43
Rot. Bonds5

About (1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene

(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene (PubChem CID 143192924) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene
PubChem CID143192924
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene
SMILESCCCCCCC1=C/CC(C)/C=C/C(C)=C\1
InChIInChI=1S/C16H26/c1-4-5-6-7-8-16-12-11-14(2)9-10-15(3)13-16/h9-10,12-14H,4-8,11H2,1-3H3/b10-9-,15-13-,16-12-
InChIKeyNDLAEMPUUJSQJB-UKASGLFGSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-pentylcyclohexa-2,4-dien-1-yl)boronic acid
CID 134064083
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CID 91156945
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide
CID 162388144
3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene
CID 163991367
1-hexyl-4-methylcycloocta-1,3,5,7-tetraene
CID 123846771
3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine
CID 138507710
2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene
CID 139627561
chloro-dimethyl-(3-octylcyclopenta-1,3-dien-1-yl)silane
CID 67541931
1-hexylcyclobutene
CID 86205685
2-butyl-5-methylcyclopenta-1,3-diene;zirconium
CID 174290613
2-butyl-5-methylcyclopenta-1,3-diene;hafnium
CID 174884437

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene (CID 143192924) is (1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene is CCCCCCC1=C/CC(C)/C=C/C(C)=C\1.
What is the InChIKey of (1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene?
The InChIKey is NDLAEMPUUJSQJB-UKASGLFGSA-N. The full InChI is InChI=1S/C16H26/c1-4-5-6-7-8-16-12-11-14(2)9-10-15(3)13-16/h9-10,12-14H,4-8,11H2,1-3H3/b10-9-,15-13-,16-12-.
What are the key properties of (1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene?
(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene has a molecular weight of 218.38 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene is sourced from PubChem (CID 143192924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).