2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol

C9H10O2 — CID 130130491

IUPAC2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol
SMILESC#CCOCC#CC(=C)CO
InChIInChI=1S/C9H10O2/c1-3-6-11-7-4-5-9(2)8-10/h1,10H,2,6-8H2
InChIKeyVJKZWGOZLMEUFW-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.19
Rot. Bonds3

About 2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol

2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol (PubChem CID 130130491) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol.

Molecular Properties

Compound Name2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol
PubChem CID130130491
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol
SMILESC#CCOCC#CC(=C)CO
InChIInChI=1S/C9H10O2/c1-3-6-11-7-4-5-9(2)8-10/h1,10H,2,6-8H2
InChIKeyVJKZWGOZLMEUFW-UHFFFAOYSA-N
XLogP0.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-Methylidenedeca-3,9-diyn-1-ol
CID 54577210
2-Ethenylidene-5-methoxypent-3-yn-1-ol
CID 15838349
2-(Prop-2-ynoxymethyl)prop-2-en-1-ol
CID 85659854
4-Methylidenepent-2-yne-1,5-diol
CID 86231989
2-Methylidenenona-3,8-diyn-1-ol
CID 130130492

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol?
The IUPAC name of 2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol (CID 130130491) is 2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol.
What is the SMILES notation for 2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol?
The canonical SMILES for 2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol is C#CCOCC#CC(=C)CO.
What is the InChIKey of 2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol?
The InChIKey is VJKZWGOZLMEUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-6-11-7-4-5-9(2)8-10/h1,10H,2,6-8H2.
What are the key properties of 2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol?
2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol has a molecular weight of 150.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-prop-2-ynoxypent-3-yn-1-ol is sourced from PubChem (CID 130130491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).