(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene

C10H14 — CID 142327747

IUPAC(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene
SMILESC=CC(/C=C\C(=C)C)=C/C
InChIInChI=1S/C10H14/c1-5-10(6-2)8-7-9(3)4/h5-8H,1,3H2,2,4H3/b8-7-,10-6-
InChIKeyFYBDIKRXSLJQLK-OYIUBJQVSA-N
MW134.22 g/mol
LogP3.25
Rot. Bonds3

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

(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene (PubChem CID 142327747) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene
PubChem CID142327747
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene
SMILESC=CC(/C=C\C(=C)C)=C/C
InChIInChI=1S/C10H14/c1-5-10(6-2)8-7-9(3)4/h5-8H,1,3H2,2,4H3/b8-7-,10-6-
InChIKeyFYBDIKRXSLJQLK-OYIUBJQVSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.25
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

(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene
CID 163402486
(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene
CID 153376191
3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene
CID 144604694
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
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene (CID 142327747) is (3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene is C=CC(/C=C\C(=C)C)=C/C.
What is the InChIKey of (3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene?
The InChIKey is FYBDIKRXSLJQLK-OYIUBJQVSA-N. The full InChI is InChI=1S/C10H14/c1-5-10(6-2)8-7-9(3)4/h5-8H,1,3H2,2,4H3/b8-7-,10-6-.
What are the key properties of (3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene?
(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene has a molecular weight of 134.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene is sourced from PubChem (CID 142327747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).