5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne

C10H16O2 — CID 54291517

IUPAC5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne
SMILESC#CC(C)=CCOC(C)(C)OC
InChIInChI=1S/C10H16O2/c1-6-9(2)7-8-12-10(3,4)11-5/h1,7H,8H2,2-5H3
InChIKeyRXVCZRFZUPUIQQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.97
Rot. Bonds4

About 5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne

5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne (PubChem CID 54291517) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne.

Molecular Properties

Compound Name5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne
PubChem CID54291517
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne
SMILESC#CC(C)=CCOC(C)(C)OC
InChIInChI=1S/C10H16O2/c1-6-9(2)7-8-12-10(3,4)11-5/h1,7H,8H2,2-5H3
InChIKeyRXVCZRFZUPUIQQ-UHFFFAOYSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne?
The IUPAC name of 5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne (CID 54291517) is 5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne.
What is the SMILES notation for 5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne?
The canonical SMILES for 5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne is C#CC(C)=CCOC(C)(C)OC.
What is the InChIKey of 5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne?
The InChIKey is RXVCZRFZUPUIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-9(2)7-8-12-10(3,4)11-5/h1,7H,8H2,2-5H3.
What are the key properties of 5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne?
5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne has a molecular weight of 168.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne is sourced from PubChem (CID 54291517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).