1-butan-2-yloxyprop-2-en-1-ol

C7H14O2 — CID 173409298

IUPAC1-butan-2-yloxyprop-2-en-1-ol
SMILESC=CC(O)OC(C)CC
InChIInChI=1S/C7H14O2/c1-4-6(3)9-7(8)5-2/h5-8H,2,4H2,1,3H3
InChIKeyNMGZXJOHEHONFJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.31
Rot. Bonds4

About 1-butan-2-yloxyprop-2-en-1-ol

1-butan-2-yloxyprop-2-en-1-ol (PubChem CID 173409298) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-butan-2-yloxyprop-2-en-1-ol.

Molecular Properties

Compound Name1-butan-2-yloxyprop-2-en-1-ol
PubChem CID173409298
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1-butan-2-yloxyprop-2-en-1-ol
SMILESC=CC(O)OC(C)CC
InChIInChI=1S/C7H14O2/c1-4-6(3)9-7(8)5-2/h5-8H,2,4H2,1,3H3
InChIKeyNMGZXJOHEHONFJ-UHFFFAOYSA-N
XLogP1.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxyprop-2-en-1-ol?
The IUPAC name of 1-butan-2-yloxyprop-2-en-1-ol (CID 173409298) is 1-butan-2-yloxyprop-2-en-1-ol.
What is the SMILES notation for 1-butan-2-yloxyprop-2-en-1-ol?
The canonical SMILES for 1-butan-2-yloxyprop-2-en-1-ol is C=CC(O)OC(C)CC.
What is the InChIKey of 1-butan-2-yloxyprop-2-en-1-ol?
The InChIKey is NMGZXJOHEHONFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-6(3)9-7(8)5-2/h5-8H,2,4H2,1,3H3.
What are the key properties of 1-butan-2-yloxyprop-2-en-1-ol?
1-butan-2-yloxyprop-2-en-1-ol has a molecular weight of 130.19 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxyprop-2-en-1-ol is sourced from PubChem (CID 173409298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).