6-ethenylidenedec-1-yne

C12H18 — CID 10678566

IUPAC6-ethenylidenedec-1-yne
SMILESC#CCCCC(=C=C)CCCC
InChIInChI=1S/C12H18/c1-4-7-9-11-12(6-3)10-8-5-2/h1H,3,5,7-11H2,2H3
InChIKeyZALXQUBATNTGGH-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.69
Rot. Bonds6

About 6-ethenylidenedec-1-yne

6-ethenylidenedec-1-yne (PubChem CID 10678566) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 6-ethenylidenedec-1-yne.

Molecular Properties

Compound Name6-ethenylidenedec-1-yne
PubChem CID10678566
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name6-ethenylidenedec-1-yne
SMILESC#CCCCC(=C=C)CCCC
InChIInChI=1S/C12H18/c1-4-7-9-11-12(6-3)10-8-5-2/h1H,3,5,7-11H2,2H3
InChIKeyZALXQUBATNTGGH-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-Methylene-undec-5-yne
CID 10866683
7-Pentadecyne, 9-methylene-
CID 11816883
2-Methylhept-1-en-6-yne
CID 10396805
Nonane, 5-ethenylidene-
CID 10941127
1-Nonyne, 3-methylene-
CID 11018929
3-Methylideneoct-1-yne
CID 12939487
3-Methylnona-1,2-diene
CID 15570329
5,6-Decadien-3-yne, 5,7-diethyl-
CID 595131
3,14-Dimethylidenehexadeca-1,15-diyne
CID 10490381
3,15-Dimethylideneheptadeca-1,16-diyne
CID 10491337
3,18-Dimethylideneicosa-1,19-diyne
CID 10566020
3,11-Dimethylidenetrideca-1,12-diyne
CID 10608109

Frequently Asked Questions

What is the IUPAC name of 6-ethenylidenedec-1-yne?
The IUPAC name of 6-ethenylidenedec-1-yne (CID 10678566) is 6-ethenylidenedec-1-yne.
What is the SMILES notation for 6-ethenylidenedec-1-yne?
The canonical SMILES for 6-ethenylidenedec-1-yne is C#CCCCC(=C=C)CCCC.
What is the InChIKey of 6-ethenylidenedec-1-yne?
The InChIKey is ZALXQUBATNTGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-4-7-9-11-12(6-3)10-8-5-2/h1H,3,5,7-11H2,2H3.
What are the key properties of 6-ethenylidenedec-1-yne?
6-ethenylidenedec-1-yne has a molecular weight of 162.28 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenylidenedec-1-yne is sourced from PubChem (CID 10678566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).