5-ethyl-3,4-dimethylidenehepta-1,5-diene

C11H16 — CID 91458758

IUPAC5-ethyl-3,4-dimethylidenehepta-1,5-diene
SMILESC=CC(=C)C(=C)C(=CC)CC
InChIInChI=1S/C11H16/c1-6-9(4)10(5)11(7-2)8-3/h6-7H,1,4-5,8H2,2-3H3
InChIKeyFLECZRAMLAGKEZ-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.64
Rot. Bonds4

About 5-ethyl-3,4-dimethylidenehepta-1,5-diene

5-ethyl-3,4-dimethylidenehepta-1,5-diene (PubChem CID 91458758) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 5-ethyl-3,4-dimethylidenehepta-1,5-diene.

Molecular Properties

Compound Name5-ethyl-3,4-dimethylidenehepta-1,5-diene
PubChem CID91458758
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name5-ethyl-3,4-dimethylidenehepta-1,5-diene
SMILESC=CC(=C)C(=C)C(=CC)CC
InChIInChI=1S/C11H16/c1-6-9(4)10(5)11(7-2)8-3/h6-7H,1,4-5,8H2,2-3H3
InChIKeyFLECZRAMLAGKEZ-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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

(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene
CID 144845951
ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene
CID 167492357
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
3-methylidenepent-1-ene
CID 18850
but-2-ene;2-methylbut-1-ene
CID 160732246
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
CID 90066548
ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
but-1-ene;2-methylbut-1-ene
CID 90770104
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
CID 171555067

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dimethylidenehepta-1,5-diene?
The IUPAC name of 5-ethyl-3,4-dimethylidenehepta-1,5-diene (CID 91458758) is 5-ethyl-3,4-dimethylidenehepta-1,5-diene.
What is the SMILES notation for 5-ethyl-3,4-dimethylidenehepta-1,5-diene?
The canonical SMILES for 5-ethyl-3,4-dimethylidenehepta-1,5-diene is C=CC(=C)C(=C)C(=CC)CC.
What is the InChIKey of 5-ethyl-3,4-dimethylidenehepta-1,5-diene?
The InChIKey is FLECZRAMLAGKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-6-9(4)10(5)11(7-2)8-3/h6-7H,1,4-5,8H2,2-3H3.
What are the key properties of 5-ethyl-3,4-dimethylidenehepta-1,5-diene?
5-ethyl-3,4-dimethylidenehepta-1,5-diene has a molecular weight of 148.25 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dimethylidenehepta-1,5-diene is sourced from PubChem (CID 91458758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).