7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne

C18H24 — CID 141032703

IUPAC7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne
SMILESC#CCC(C#CCCC=C)(CC=CC)CCC=C
InChIInChI=1S/C18H24/c1-5-9-12-13-17-18(14-8-4,15-10-6-2)16-11-7-3/h4-7,11H,1-2,9-10,12,14-16H2,3H3
InChIKeyBRFVQYNWWIJWGX-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.90
Rot. Bonds8

About 7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne

7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne (PubChem CID 141032703) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne.

Molecular Properties

Compound Name7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne
PubChem CID141032703
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne
SMILESC#CCC(C#CCCC=C)(CC=CC)CCC=C
InChIInChI=1S/C18H24/c1-5-9-12-13-17-18(14-8-4,15-10-6-2)16-11-7-3/h4-7,11H,1-2,9-10,12,14-16H2,3H3
InChIKeyBRFVQYNWWIJWGX-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne?
The IUPAC name of 7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne (CID 141032703) is 7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne.
What is the SMILES notation for 7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne?
The canonical SMILES for 7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne is C#CCC(C#CCCC=C)(CC=CC)CCC=C.
What is the InChIKey of 7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne?
The InChIKey is BRFVQYNWWIJWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-5-9-12-13-17-18(14-8-4,15-10-6-2)16-11-7-3/h4-7,11H,1-2,9-10,12,14-16H2,3H3.
What are the key properties of 7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne?
7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne has a molecular weight of 240.39 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-enyl-7-prop-2-ynylundeca-1,9-dien-5-yne is sourced from PubChem (CID 141032703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).