4-prop-2-enylocta-1,4-diene

C11H18 — CID 173317146

IUPAC4-prop-2-enylocta-1,4-diene
SMILESC=CCC(=CCCC)CC=C
InChIInChI=1S/C11H18/c1-4-7-10-11(8-5-2)9-6-3/h5-6,10H,2-4,7-9H2,1H3
InChIKeyRYAGSHVOORLXPB-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.87
Rot. Bonds6

About 4-prop-2-enylocta-1,4-diene

4-prop-2-enylocta-1,4-diene (PubChem CID 173317146) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 4-prop-2-enylocta-1,4-diene.

Molecular Properties

Compound Name4-prop-2-enylocta-1,4-diene
PubChem CID173317146
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name4-prop-2-enylocta-1,4-diene
SMILESC=CCC(=CCCC)CC=C
InChIInChI=1S/C11H18/c1-4-7-10-11(8-5-2)9-6-3/h5-6,10H,2-4,7-9H2,1H3
InChIKeyRYAGSHVOORLXPB-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethylnona-1,5-diene
CID 54516473
(4E)-4-propylundeca-1,4-diene
CID 134903488
4-propylundeca-1,4-diene
CID 175604845
(4Z)-4-ethylidenehept-1-ene
CID 12841273
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
methyl 2-prop-2-enylhex-2-enoate
CID 174771854
(111C)pent-1-ene
CID 177423582
(4Z)-7-ethyl-4-ethylidenenona-1,6-diene
CID 59970612
(5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine
CID 167108317
azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride
CID 174886040
(3Z)-hepta-1,3-dien-3-ol
CID 102117961
CID 175109121
CID 175109121

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylocta-1,4-diene?
The IUPAC name of 4-prop-2-enylocta-1,4-diene (CID 173317146) is 4-prop-2-enylocta-1,4-diene.
What is the SMILES notation for 4-prop-2-enylocta-1,4-diene?
The canonical SMILES for 4-prop-2-enylocta-1,4-diene is C=CCC(=CCCC)CC=C.
What is the InChIKey of 4-prop-2-enylocta-1,4-diene?
The InChIKey is RYAGSHVOORLXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-7-10-11(8-5-2)9-6-3/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 4-prop-2-enylocta-1,4-diene?
4-prop-2-enylocta-1,4-diene has a molecular weight of 150.26 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylocta-1,4-diene is sourced from PubChem (CID 173317146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).