3-ethynyl-5,5-dimethylhex-1-ene

C10H16 — CID 123603865

IUPAC3-ethynyl-5,5-dimethylhex-1-ene
SMILESC#CC(C=C)CC(C)(C)C
InChIInChI=1S/C10H16/c1-6-9(7-2)8-10(3,4)5/h1,7,9H,2,8H2,3-5H3
InChIKeyKUDNHXOJLHRQOI-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.86
Rot. Bonds2

About 3-ethynyl-5,5-dimethylhex-1-ene

3-ethynyl-5,5-dimethylhex-1-ene (PubChem CID 123603865) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-ethynyl-5,5-dimethylhex-1-ene.

Molecular Properties

Compound Name3-ethynyl-5,5-dimethylhex-1-ene
PubChem CID123603865
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3-ethynyl-5,5-dimethylhex-1-ene
SMILESC#CC(C=C)CC(C)(C)C
InChIInChI=1S/C10H16/c1-6-9(7-2)8-10(3,4)5/h1,7,9H,2,8H2,3-5H3
InChIKeyKUDNHXOJLHRQOI-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.86
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 3-ethynyl-5,5-dimethylhex-1-ene?
The IUPAC name of 3-ethynyl-5,5-dimethylhex-1-ene (CID 123603865) is 3-ethynyl-5,5-dimethylhex-1-ene.
What is the SMILES notation for 3-ethynyl-5,5-dimethylhex-1-ene?
The canonical SMILES for 3-ethynyl-5,5-dimethylhex-1-ene is C#CC(C=C)CC(C)(C)C.
What is the InChIKey of 3-ethynyl-5,5-dimethylhex-1-ene?
The InChIKey is KUDNHXOJLHRQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-6-9(7-2)8-10(3,4)5/h1,7,9H,2,8H2,3-5H3.
What are the key properties of 3-ethynyl-5,5-dimethylhex-1-ene?
3-ethynyl-5,5-dimethylhex-1-ene has a molecular weight of 136.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-5,5-dimethylhex-1-ene is sourced from PubChem (CID 123603865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).