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'}

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

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Related Compounds

(6E)-5-butyl-12-fluoro-5,7-dimethyldodeca-1,6-dien-8-yne
CID 167192669
1-(3,3-Dimethyl-cyclohex-6-en-1-yl)-pent-4-en-1-yne
CID 20569434
(8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene
CID 15646583
4-(3,3-Dimethylbut-1-ynyl)cyclohexene
CID 86111044
1,3,3-trimethyl-2-[(E)-3-methyloct-3-en-7-ynyl]cyclohexene
CID 134897750
(E)-4,4-dimethyloct-6-en-1-yne
CID 134973888
(E,6S)-6-ethenyl-6-methylnon-3-ene
CID 135075495
9-Ethynyl-6,9-dimethyltetradeca-1,6,7,13-tetraene
CID 71396039
6,6-Dimethyloct-1-en-7-yne
CID 71396041
1-(2-Cyclopenta-1,3-dien-1-ylhex-5-yn-2-yl)cyclopenta-1,3-diene
CID 18927523
1,5,5-Trimethyl-6-(4-methyl-3-methylideneoct-7-en-1-ynyl)cyclohexene
CID 20352449
5-Ethynyl-5-methylnona-1,8-diene
CID 20828015

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).