4-methylidenehex-2-yn-1-ol

C7H10O — CID 86092804

IUPAC4-methylidenehex-2-yn-1-ol
SMILESC=C(C#CCO)CC
InChIInChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h8H,2-3,6H2,1H3
InChIKeyRMRXSECITJSHLW-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.95
Rot. Bonds1

About 4-methylidenehex-2-yn-1-ol

4-methylidenehex-2-yn-1-ol (PubChem CID 86092804) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-methylidenehex-2-yn-1-ol.

Molecular Properties

Compound Name4-methylidenehex-2-yn-1-ol
PubChem CID86092804
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name4-methylidenehex-2-yn-1-ol
SMILESC=C(C#CCO)CC
InChIInChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h8H,2-3,6H2,1H3
InChIKeyRMRXSECITJSHLW-UHFFFAOYSA-N
XLogP0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylidenepent-2-yne-1,5-diol
CID 86231989
6-methylidenenon-4-yne
CID 15584278
ethene;2-methylidenebutanenitrile
CID 139503600
but-2-yne-1,4-diol;bis(2-methylprop-2-enoic acid)
CID 88795162
6-hydroxy-2,2-dimethylhex-4-yn-3-one
CID 118328438
hept-4-en-2-yn-1-ol
CID 54212418
ethanol;palladium
CID 87368677
tricosa-2,5,8,11,14,17,20-heptayn-1-ol
CID 125325775
(5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol
CID 170789294
ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234
4-methyl-5-phenylpent-4-en-2-yn-1-ol
CID 91522186
(E)-4-ethylnon-3-en-5-yne
CID 5368780

Frequently Asked Questions

What is the IUPAC name of 4-methylidenehex-2-yn-1-ol?
The IUPAC name of 4-methylidenehex-2-yn-1-ol (CID 86092804) is 4-methylidenehex-2-yn-1-ol.
What is the SMILES notation for 4-methylidenehex-2-yn-1-ol?
The canonical SMILES for 4-methylidenehex-2-yn-1-ol is C=C(C#CCO)CC.
What is the InChIKey of 4-methylidenehex-2-yn-1-ol?
The InChIKey is RMRXSECITJSHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h8H,2-3,6H2,1H3.
What are the key properties of 4-methylidenehex-2-yn-1-ol?
4-methylidenehex-2-yn-1-ol has a molecular weight of 110.16 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenehex-2-yn-1-ol is sourced from PubChem (CID 86092804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).