(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene

C11H16 — CID 153376191

IUPAC(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene
SMILESC=CC(/C=C\C(=C)C)=C(C)C
InChIInChI=1S/C11H16/c1-6-11(10(4)5)8-7-9(2)3/h6-8H,1-2H2,3-5H3/b8-7-
InChIKeyRDVFLMYAUMBVJX-FPLPWBNLSA-N
MW148.25 g/mol
LogP3.64
Rot. Bonds3

About (3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene

(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene (PubChem CID 153376191) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene
PubChem CID153376191
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene
SMILESC=CC(/C=C\C(=C)C)=C(C)C
InChIInChI=1S/C11H16/c1-6-11(10(4)5)8-7-9(2)3/h6-8H,1-2H2,3-5H3/b8-7-
InChIKeyRDVFLMYAUMBVJX-FPLPWBNLSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.64
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)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936
(3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
CID 88949201
(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene
CID 142327747
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene
CID 163402486
(3Z)-5-methylhexa-1,3,5-trien-2-ol;uranium
CID 143030811
(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen
CID 153376220
(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine
CID 142547915

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene?
The IUPAC name of (3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene (CID 153376191) is (3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene.
What is the SMILES notation for (3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene?
The canonical SMILES for (3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene is C=CC(/C=C\C(=C)C)=C(C)C.
What is the InChIKey of (3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene?
The InChIKey is RDVFLMYAUMBVJX-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H16/c1-6-11(10(4)5)8-7-9(2)3/h6-8H,1-2H2,3-5H3/b8-7-.
What are the key properties of (3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene?
(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene has a molecular weight of 148.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene is sourced from PubChem (CID 153376191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).