4-ethylidene-5-methylocta-2,5-diene

C11H18 — CID 123325862

IUPAC4-ethylidene-5-methylocta-2,5-diene
SMILESCC=CC(=CC)C(C)=CCC
InChIInChI=1S/C11H18/c1-5-8-10(4)11(7-3)9-6-2/h6-9H,5H2,1-4H3
InChIKeyDUJCYYKRWIWYGT-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.87
Rot. Bonds3

About 4-ethylidene-5-methylocta-2,5-diene

4-ethylidene-5-methylocta-2,5-diene (PubChem CID 123325862) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 4-ethylidene-5-methylocta-2,5-diene.

Molecular Properties

Compound Name4-ethylidene-5-methylocta-2,5-diene
PubChem CID123325862
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name4-ethylidene-5-methylocta-2,5-diene
SMILESCC=CC(=CC)C(C)=CCC
InChIInChI=1S/C11H18/c1-5-8-10(4)11(7-3)9-6-2/h6-9H,5H2,1-4H3
InChIKeyDUJCYYKRWIWYGT-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.87
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,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine
CID 144997637
(1Z,3E,4Z)-3-ethylidene-1-methoxy-2-methylhexa-1,4-diene
CID 142869490
benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
CID 144597093
(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
(1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine
CID 143918138
ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
CID 46873133
6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene
CID 151199646
(2Z,4E)-4-methylsulfanylhepta-2,4-diene
CID 89346881
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
(2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene
CID 142050901

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-5-methylocta-2,5-diene?
The IUPAC name of 4-ethylidene-5-methylocta-2,5-diene (CID 123325862) is 4-ethylidene-5-methylocta-2,5-diene.
What is the SMILES notation for 4-ethylidene-5-methylocta-2,5-diene?
The canonical SMILES for 4-ethylidene-5-methylocta-2,5-diene is CC=CC(=CC)C(C)=CCC.
What is the InChIKey of 4-ethylidene-5-methylocta-2,5-diene?
The InChIKey is DUJCYYKRWIWYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-8-10(4)11(7-3)9-6-2/h6-9H,5H2,1-4H3.
What are the key properties of 4-ethylidene-5-methylocta-2,5-diene?
4-ethylidene-5-methylocta-2,5-diene has a molecular weight of 150.26 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-5-methylocta-2,5-diene is sourced from PubChem (CID 123325862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).