1-(1-ethylcyclopropyl)prop-2-en-1-ol

C8H14O — CID 130554249

IUPAC1-(1-ethylcyclopropyl)prop-2-en-1-ol
SMILESC=CC(O)C1(CC)CC1
InChIInChI=1S/C8H14O/c1-3-7(9)8(4-2)5-6-8/h3,7,9H,1,4-6H2,2H3
InChIKeyVHFYOJGZBATQEE-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.72
Rot. Bonds3

About 1-(1-ethylcyclopropyl)prop-2-en-1-ol

1-(1-ethylcyclopropyl)prop-2-en-1-ol (PubChem CID 130554249) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(1-ethylcyclopropyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1-ethylcyclopropyl)prop-2-en-1-ol
PubChem CID130554249
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-(1-ethylcyclopropyl)prop-2-en-1-ol
SMILESC=CC(O)C1(CC)CC1
InChIInChI=1S/C8H14O/c1-3-7(9)8(4-2)5-6-8/h3,7,9H,1,4-6H2,2H3
InChIKeyVHFYOJGZBATQEE-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopropyl)prop-2-en-1-ol?
The IUPAC name of 1-(1-ethylcyclopropyl)prop-2-en-1-ol (CID 130554249) is 1-(1-ethylcyclopropyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1-ethylcyclopropyl)prop-2-en-1-ol?
The canonical SMILES for 1-(1-ethylcyclopropyl)prop-2-en-1-ol is C=CC(O)C1(CC)CC1.
What is the InChIKey of 1-(1-ethylcyclopropyl)prop-2-en-1-ol?
The InChIKey is VHFYOJGZBATQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-7(9)8(4-2)5-6-8/h3,7,9H,1,4-6H2,2H3.
What are the key properties of 1-(1-ethylcyclopropyl)prop-2-en-1-ol?
1-(1-ethylcyclopropyl)prop-2-en-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopropyl)prop-2-en-1-ol is sourced from PubChem (CID 130554249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).