6-but-1-enyl-7-prop-1-enylundeca-4,6-diene

C18H30 — CID 141085026

IUPAC6-but-1-enyl-7-prop-1-enylundeca-4,6-diene
SMILESCC=CC(CCCC)=C(C=CCC)C=CCCC
InChIInChI=1S/C18H30/c1-5-9-12-16-18(15-11-7-3)17(13-8-4)14-10-6-2/h8,11-13,15-16H,5-7,9-10,14H2,1-4H3
InChIKeyVJFORSQCMKMXRR-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.37
Rot. Bonds9

About 6-but-1-enyl-7-prop-1-enylundeca-4,6-diene

6-but-1-enyl-7-prop-1-enylundeca-4,6-diene (PubChem CID 141085026) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 6-but-1-enyl-7-prop-1-enylundeca-4,6-diene.

Molecular Properties

Compound Name6-but-1-enyl-7-prop-1-enylundeca-4,6-diene
PubChem CID141085026
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name6-but-1-enyl-7-prop-1-enylundeca-4,6-diene
SMILESCC=CC(CCCC)=C(C=CCC)C=CCCC
InChIInChI=1S/C18H30/c1-5-9-12-16-18(15-11-7-3)17(13-8-4)14-10-6-2/h8,11-13,15-16H,5-7,9-10,14H2,1-4H3
InChIKeyVJFORSQCMKMXRR-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-but-1-enyl-7-prop-1-enylundeca-4,6-diene?
The IUPAC name of 6-but-1-enyl-7-prop-1-enylundeca-4,6-diene (CID 141085026) is 6-but-1-enyl-7-prop-1-enylundeca-4,6-diene.
What is the SMILES notation for 6-but-1-enyl-7-prop-1-enylundeca-4,6-diene?
The canonical SMILES for 6-but-1-enyl-7-prop-1-enylundeca-4,6-diene is CC=CC(CCCC)=C(C=CCC)C=CCCC.
What is the InChIKey of 6-but-1-enyl-7-prop-1-enylundeca-4,6-diene?
The InChIKey is VJFORSQCMKMXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-5-9-12-16-18(15-11-7-3)17(13-8-4)14-10-6-2/h8,11-13,15-16H,5-7,9-10,14H2,1-4H3.
What are the key properties of 6-but-1-enyl-7-prop-1-enylundeca-4,6-diene?
6-but-1-enyl-7-prop-1-enylundeca-4,6-diene has a molecular weight of 246.44 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-enyl-7-prop-1-enylundeca-4,6-diene is sourced from PubChem (CID 141085026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).