(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene

C14H24 — CID 145089593

IUPAC(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene
SMILESC=C/C=C\C(=C/CC)C(C)(C)C(C)C
InChIInChI=1S/C14H24/c1-7-9-11-13(10-8-2)14(5,6)12(3)4/h7,9-12H,1,8H2,2-6H3/b11-9-,13-10+
InChIKeyKPUOQKCUJWTKFL-SZJZEYKYSA-N
MW192.35 g/mol
LogP4.75
Rot. Bonds5

About (3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene

(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene (PubChem CID 145089593) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is (3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene
PubChem CID145089593
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene
SMILESC=C/C=C\C(=C/CC)C(C)(C)C(C)C
InChIInChI=1S/C14H24/c1-7-9-11-13(10-8-2)14(5,6)12(3)4/h7,9-12H,1,8H2,2-6H3/b11-9-,13-10+
InChIKeyKPUOQKCUJWTKFL-SZJZEYKYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343
5-methylocta-1,3,5-triene
CID 123706098
(3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane
CID 143745715
N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide
CID 167457768
[(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane
CID 134462409
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
5,6,7-trimethylnona-1,3,5-triene
CID 123607192
bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid
CID 174911104
ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide
CID 143199544
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
7-methyl-5-methylideneocta-1,3-diene
CID 123347446

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene?
The IUPAC name of (3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene (CID 145089593) is (3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene?
The canonical SMILES for (3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene is C=C/C=C\C(=C/CC)C(C)(C)C(C)C.
What is the InChIKey of (3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene?
The InChIKey is KPUOQKCUJWTKFL-SZJZEYKYSA-N. The full InChI is InChI=1S/C14H24/c1-7-9-11-13(10-8-2)14(5,6)12(3)4/h7,9-12H,1,8H2,2-6H3/b11-9-,13-10+.
What are the key properties of (3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene?
(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene has a molecular weight of 192.35 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene is sourced from PubChem (CID 145089593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).