2-methyl-5-prop-2-ynoxypent-1-en-3-yne

C9H10O — CID 15555097

IUPAC2-methyl-5-prop-2-ynoxypent-1-en-3-yne
SMILESC#CCOCC#CC(=C)C
InChIInChI=1S/C9H10O/c1-4-7-10-8-5-6-9(2)3/h1H,2,7-8H2,3H3
InChIKeyRCHQJPCZGZKMCB-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.22
Rot. Bonds2

About 2-methyl-5-prop-2-ynoxypent-1-en-3-yne

2-methyl-5-prop-2-ynoxypent-1-en-3-yne (PubChem CID 15555097) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-methyl-5-prop-2-ynoxypent-1-en-3-yne.

Molecular Properties

Compound Name2-methyl-5-prop-2-ynoxypent-1-en-3-yne
PubChem CID15555097
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name2-methyl-5-prop-2-ynoxypent-1-en-3-yne
SMILESC#CCOCC#CC(=C)C
InChIInChI=1S/C9H10O/c1-4-7-10-8-5-6-9(2)3/h1H,2,7-8H2,3H3
InChIKeyRCHQJPCZGZKMCB-UHFFFAOYSA-N
XLogP1.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-5-prop-2-ynoxypent-1-en-3-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 2-methyl-5-prop-2-ynoxypent-1-en-3-yne?
The IUPAC name of 2-methyl-5-prop-2-ynoxypent-1-en-3-yne (CID 15555097) is 2-methyl-5-prop-2-ynoxypent-1-en-3-yne.
What is the SMILES notation for 2-methyl-5-prop-2-ynoxypent-1-en-3-yne?
The canonical SMILES for 2-methyl-5-prop-2-ynoxypent-1-en-3-yne is C#CCOCC#CC(=C)C.
What is the InChIKey of 2-methyl-5-prop-2-ynoxypent-1-en-3-yne?
The InChIKey is RCHQJPCZGZKMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-4-7-10-8-5-6-9(2)3/h1H,2,7-8H2,3H3.
What are the key properties of 2-methyl-5-prop-2-ynoxypent-1-en-3-yne?
2-methyl-5-prop-2-ynoxypent-1-en-3-yne has a molecular weight of 134.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-ynoxypent-1-en-3-yne is sourced from PubChem (CID 15555097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).