4-prop-1-en-2-ylocta-2,5-diene

C11H18 — CID 141105278

IUPAC4-prop-1-en-2-ylocta-2,5-diene
SMILESC=C(C)C(C=CC)C=CCC
InChIInChI=1S/C11H18/c1-5-7-9-11(8-6-2)10(3)4/h6-9,11H,3,5H2,1-2,4H3
InChIKeyQSTWWBSISPLCKP-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.72
Rot. Bonds4

About 4-prop-1-en-2-ylocta-2,5-diene

4-prop-1-en-2-ylocta-2,5-diene (PubChem CID 141105278) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 4-prop-1-en-2-ylocta-2,5-diene.

Molecular Properties

Compound Name4-prop-1-en-2-ylocta-2,5-diene
PubChem CID141105278
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name4-prop-1-en-2-ylocta-2,5-diene
SMILESC=C(C)C(C=CC)C=CCC
InChIInChI=1S/C11H18/c1-5-7-9-11(8-6-2)10(3)4/h6-9,11H,3,5H2,1-2,4H3
InChIKeyQSTWWBSISPLCKP-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.72
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

1-chloropent-2-en-1-ol
CID 141457215
2-methylocta-1,6-diene-3,5-diol
CID 173315140
(E,3R)-hept-4-en-3-ol
CID 11007865
(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol
CID 11007995
(Z)-N-methyl-N-prop-1-en-2-ylhex-3-en-2-amine
CID 160560339
(2Z,5E)-5-methylocta-2,5-dien-4-ol
CID 172570769
(E,3R)-2-methylhept-4-en-3-ol
CID 59911150
3-methylhept-4-en-2-ol
CID 90779417
hept-4-ene-2,3-diol
CID 54484674
2-methylhept-4-en-3-ol
CID 54499499
but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium
CID 59967254
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-ylocta-2,5-diene?
The IUPAC name of 4-prop-1-en-2-ylocta-2,5-diene (CID 141105278) is 4-prop-1-en-2-ylocta-2,5-diene.
What is the SMILES notation for 4-prop-1-en-2-ylocta-2,5-diene?
The canonical SMILES for 4-prop-1-en-2-ylocta-2,5-diene is C=C(C)C(C=CC)C=CCC.
What is the InChIKey of 4-prop-1-en-2-ylocta-2,5-diene?
The InChIKey is QSTWWBSISPLCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-7-9-11(8-6-2)10(3)4/h6-9,11H,3,5H2,1-2,4H3.
What are the key properties of 4-prop-1-en-2-ylocta-2,5-diene?
4-prop-1-en-2-ylocta-2,5-diene has a molecular weight of 150.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-ylocta-2,5-diene is sourced from PubChem (CID 141105278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).