4-methylidenepent-2-yne-1,5-diol

C6H8O2 — CID 86231989

IUPAC4-methylidenepent-2-yne-1,5-diol
SMILESC=C(C#CCO)CO
InChIInChI=1S/C6H8O2/c1-6(5-8)3-2-4-7/h7-8H,1,4-5H2
InChIKeyMAMSOAJHKBOOFJ-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.47
Rot. Bonds1

About 4-methylidenepent-2-yne-1,5-diol

4-methylidenepent-2-yne-1,5-diol (PubChem CID 86231989) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-methylidenepent-2-yne-1,5-diol.

Molecular Properties

Compound Name4-methylidenepent-2-yne-1,5-diol
PubChem CID86231989
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name4-methylidenepent-2-yne-1,5-diol
SMILESC=C(C#CCO)CO
InChIInChI=1S/C6H8O2/c1-6(5-8)3-2-4-7/h7-8H,1,4-5H2
InChIKeyMAMSOAJHKBOOFJ-UHFFFAOYSA-N
XLogP-0.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Propanediol, 2-methylene-
CID 77048
2-Methylene-3-butyn-1-ol
CID 3019670
2-Methylidenepent-3-yn-1-ol
CID 119097406
3-Octyn-1-ol, 2-methylene-
CID 10877185
5-Methylhex-5-en-3-yn-1-ol
CID 12546242
Water methallyl alcohol
CID 131719387
2-Methylidenepropane-1,3-diol;bis(rutherfordium)
CID 140801479
5,5-Dimethyl-2-methylidenehex-3-yn-1-ol
CID 10351771
2-Ethenylidene-5-methoxypent-3-yn-1-ol
CID 15838349
(Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol
CID 102130046
(E)-5,6-bis(hydroxymethyl)-2,9-dimethylidenedec-5-en-3,7-diyne-1,10-diol
CID 122386793
2-Methylidene-5-prop-2-ynoxypent-3-yn-1-ol
CID 130130491

Frequently Asked Questions

What is the IUPAC name of 4-methylidenepent-2-yne-1,5-diol?
The IUPAC name of 4-methylidenepent-2-yne-1,5-diol (CID 86231989) is 4-methylidenepent-2-yne-1,5-diol.
What is the SMILES notation for 4-methylidenepent-2-yne-1,5-diol?
The canonical SMILES for 4-methylidenepent-2-yne-1,5-diol is C=C(C#CCO)CO.
What is the InChIKey of 4-methylidenepent-2-yne-1,5-diol?
The InChIKey is MAMSOAJHKBOOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-6(5-8)3-2-4-7/h7-8H,1,4-5H2.
What are the key properties of 4-methylidenepent-2-yne-1,5-diol?
4-methylidenepent-2-yne-1,5-diol has a molecular weight of 112.13 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenepent-2-yne-1,5-diol is sourced from PubChem (CID 86231989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).