2-ethenylidene-5-methoxypent-3-yn-1-ol

C8H10O2 — CID 15838349

IUPAC2-ethenylidene-5-methoxypent-3-yn-1-ol
SMILESC=C=C(C#CCOC)CO
InChIInChI=1S/C8H10O2/c1-3-8(7-9)5-4-6-10-2/h9H,1,6-7H2,2H3
InChIKeyDAVAUEIGCDUTNH-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.34
Rot. Bonds2

About 2-ethenylidene-5-methoxypent-3-yn-1-ol

2-ethenylidene-5-methoxypent-3-yn-1-ol (PubChem CID 15838349) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethenylidene-5-methoxypent-3-yn-1-ol.

Molecular Properties

Compound Name2-ethenylidene-5-methoxypent-3-yn-1-ol
PubChem CID15838349
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-ethenylidene-5-methoxypent-3-yn-1-ol
SMILESC=C=C(C#CCOC)CO
InChIInChI=1S/C8H10O2/c1-3-8(7-9)5-4-6-10-2/h9H,1,6-7H2,2H3
InChIKeyDAVAUEIGCDUTNH-UHFFFAOYSA-N
XLogP0.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethenylidene-5-methoxypent-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-Methylidenepent-3-yn-1-ol
CID 119097406
3-Octyn-1-ol, 2-methylene-
CID 10877185
(Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol
CID 134890162
5,5-Dimethyl-2-methylidenehex-3-yn-1-ol
CID 10351771
4-Methylidenepent-2-yne-1,5-diol
CID 86231989
3-Ethenylideneoct-4-yne-2,7-diol
CID 101452650
2-Methylidene-5-prop-2-ynoxypent-3-yn-1-ol
CID 130130491
(2E,6E)-2,3,6,7-tetramethylocta-2,6-dien-4-yne-1,8-diol
CID 133613395
(E)-6-methoxy-3-methylhex-2-en-4-yn-1-ol
CID 133683069
(Z)-2-prop-1-ynylprop-1-ene-1,3-diol
CID 142132001

Frequently Asked Questions

What is the IUPAC name of 2-ethenylidene-5-methoxypent-3-yn-1-ol?
The IUPAC name of 2-ethenylidene-5-methoxypent-3-yn-1-ol (CID 15838349) is 2-ethenylidene-5-methoxypent-3-yn-1-ol.
What is the SMILES notation for 2-ethenylidene-5-methoxypent-3-yn-1-ol?
The canonical SMILES for 2-ethenylidene-5-methoxypent-3-yn-1-ol is C=C=C(C#CCOC)CO.
What is the InChIKey of 2-ethenylidene-5-methoxypent-3-yn-1-ol?
The InChIKey is DAVAUEIGCDUTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-8(7-9)5-4-6-10-2/h9H,1,6-7H2,2H3.
What are the key properties of 2-ethenylidene-5-methoxypent-3-yn-1-ol?
2-ethenylidene-5-methoxypent-3-yn-1-ol has a molecular weight of 138.17 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylidene-5-methoxypent-3-yn-1-ol is sourced from PubChem (CID 15838349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).