6-methylidenenon-4-yne

C10H16 — CID 15584278

IUPAC6-methylidenenon-4-yne
SMILESC=C(C#CCCC)CCC
InChIInChI=1S/C10H16/c1-4-6-7-9-10(3)8-5-2/h3-6,8H2,1-2H3
InChIKeyYSAGFTFQEGXAHT-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.15
Rot. Bonds3

About 6-methylidenenon-4-yne

6-methylidenenon-4-yne (PubChem CID 15584278) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 6-methylidenenon-4-yne.

Molecular Properties

Compound Name6-methylidenenon-4-yne
PubChem CID15584278
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name6-methylidenenon-4-yne
SMILESC=C(C#CCCC)CCC
InChIInChI=1S/C10H16/c1-4-6-7-9-10(3)8-5-2/h3-6,8H2,1-2H3
InChIKeyYSAGFTFQEGXAHT-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methylidenehex-2-yn-1-ol
CID 86092804
hex-2-ynethioic S-acid
CID 57208590
4-methylidenepent-2-yne-1,5-diol
CID 86231989
N-ethyl-9-methylideneoctadec-10-ynamide
CID 89126172
2-methylidenedeca-3,9-diyn-1-ol
CID 54577210
9-methylidene-N-propan-2-yloctadec-10-ynamide
CID 89126173
2,2-dimethyloct-4-yn-3-one
CID 14044073
4,5-dimethylideneoctane
CID 13294231
tetradeca-4,9-diyne
CID 173328648
(E)-4-ethylnon-3-en-5-yne
CID 5368780
undec-6-yn-5-one
CID 11240698
2-hydroxy-2-methyloct-4-yn-3-one
CID 101429118

Frequently Asked Questions

What is the IUPAC name of 6-methylidenenon-4-yne?
The IUPAC name of 6-methylidenenon-4-yne (CID 15584278) is 6-methylidenenon-4-yne.
What is the SMILES notation for 6-methylidenenon-4-yne?
The canonical SMILES for 6-methylidenenon-4-yne is C=C(C#CCCC)CCC.
What is the InChIKey of 6-methylidenenon-4-yne?
The InChIKey is YSAGFTFQEGXAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-6-7-9-10(3)8-5-2/h3-6,8H2,1-2H3.
What are the key properties of 6-methylidenenon-4-yne?
6-methylidenenon-4-yne has a molecular weight of 136.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenenon-4-yne is sourced from PubChem (CID 15584278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).