4,4-dimethyloct-1-en-6-yne

C10H16 — CID 59085416

IUPAC4,4-dimethyloct-1-en-6-yne
SMILESC=CCC(C)(C)CC#CC
InChIInChI=1S/C10H16/c1-5-7-9-10(3,4)8-6-2/h6H,2,8-9H2,1,3-4H3
InChIKeyALJOSYXRNMHNAP-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds3

About 4,4-dimethyloct-1-en-6-yne

4,4-dimethyloct-1-en-6-yne (PubChem CID 59085416) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4,4-dimethyloct-1-en-6-yne.

Molecular Properties

Compound Name4,4-dimethyloct-1-en-6-yne
PubChem CID59085416
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4,4-dimethyloct-1-en-6-yne
SMILESC=CCC(C)(C)CC#CC
InChIInChI=1S/C10H16/c1-5-7-9-10(3,4)8-6-2/h6H,2,8-9H2,1,3-4H3
InChIKeyALJOSYXRNMHNAP-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 4,4-dimethyloct-1-en-6-yne?
The IUPAC name of 4,4-dimethyloct-1-en-6-yne (CID 59085416) is 4,4-dimethyloct-1-en-6-yne.
What is the SMILES notation for 4,4-dimethyloct-1-en-6-yne?
The canonical SMILES for 4,4-dimethyloct-1-en-6-yne is C=CCC(C)(C)CC#CC.
What is the InChIKey of 4,4-dimethyloct-1-en-6-yne?
The InChIKey is ALJOSYXRNMHNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-7-9-10(3,4)8-6-2/h6H,2,8-9H2,1,3-4H3.
What are the key properties of 4,4-dimethyloct-1-en-6-yne?
4,4-dimethyloct-1-en-6-yne has a molecular weight of 136.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyloct-1-en-6-yne is sourced from PubChem (CID 59085416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).