4-cyclopropyl-2-methylidenebut-3-yn-1-ol

C8H10O — CID 15542541

IUPAC4-cyclopropyl-2-methylidenebut-3-yn-1-ol
SMILESC=C(C#CC1CC1)CO
InChIInChI=1S/C8H10O/c1-7(6-9)2-3-8-4-5-8/h8-9H,1,4-6H2
InChIKeyDQLSPNHXFSPUKX-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.95
Rot. Bonds1

About 4-cyclopropyl-2-methylidenebut-3-yn-1-ol

4-cyclopropyl-2-methylidenebut-3-yn-1-ol (PubChem CID 15542541) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-cyclopropyl-2-methylidenebut-3-yn-1-ol.

Molecular Properties

Compound Name4-cyclopropyl-2-methylidenebut-3-yn-1-ol
PubChem CID15542541
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name4-cyclopropyl-2-methylidenebut-3-yn-1-ol
SMILESC=C(C#CC1CC1)CO
InChIInChI=1S/C8H10O/c1-7(6-9)2-3-8-4-5-8/h8-9H,1,4-6H2
InChIKeyDQLSPNHXFSPUKX-UHFFFAOYSA-N
XLogP0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
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

3-Octyn-1-ol, 2-methylene-
CID 10877185
5,5-Dimethyl-2-methylidenehex-3-yn-1-ol
CID 10351771
2-Methylidenenona-3,8-diyn-1-ol
CID 130130492

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methylidenebut-3-yn-1-ol?
The IUPAC name of 4-cyclopropyl-2-methylidenebut-3-yn-1-ol (CID 15542541) is 4-cyclopropyl-2-methylidenebut-3-yn-1-ol.
What is the SMILES notation for 4-cyclopropyl-2-methylidenebut-3-yn-1-ol?
The canonical SMILES for 4-cyclopropyl-2-methylidenebut-3-yn-1-ol is C=C(C#CC1CC1)CO.
What is the InChIKey of 4-cyclopropyl-2-methylidenebut-3-yn-1-ol?
The InChIKey is DQLSPNHXFSPUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-7(6-9)2-3-8-4-5-8/h8-9H,1,4-6H2.
What are the key properties of 4-cyclopropyl-2-methylidenebut-3-yn-1-ol?
4-cyclopropyl-2-methylidenebut-3-yn-1-ol has a molecular weight of 122.17 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-cyclopropyl-2-methylidenebut-3-yn-1-ol is sourced from PubChem (CID 15542541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).