(E)-3-propan-2-yloxyprop-2-en-1-ol

C6H12O2 — CID 50900194

IUPAC(E)-3-propan-2-yloxyprop-2-en-1-ol
SMILESCC(C)O/C=C/CO
InChIInChI=1S/C6H12O2/c1-6(2)8-5-3-4-7/h3,5-7H,4H2,1-2H3/b5-3+
InChIKeyBVRARRZVDLSCDV-HWKANZROSA-N
MW116.16 g/mol
LogP0.92
Rot. Bonds3

About (E)-3-propan-2-yloxyprop-2-en-1-ol

(E)-3-propan-2-yloxyprop-2-en-1-ol (PubChem CID 50900194) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (E)-3-propan-2-yloxyprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-propan-2-yloxyprop-2-en-1-ol
PubChem CID50900194
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(E)-3-propan-2-yloxyprop-2-en-1-ol
SMILESCC(C)O/C=C/CO
InChIInChI=1S/C6H12O2/c1-6(2)8-5-3-4-7/h3,5-7H,4H2,1-2H3/b5-3+
InChIKeyBVRARRZVDLSCDV-HWKANZROSA-N
XLogP0.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-propan-2-yloxyprop-2-en-1-ol?
The IUPAC name of (E)-3-propan-2-yloxyprop-2-en-1-ol (CID 50900194) is (E)-3-propan-2-yloxyprop-2-en-1-ol.
What is the SMILES notation for (E)-3-propan-2-yloxyprop-2-en-1-ol?
The canonical SMILES for (E)-3-propan-2-yloxyprop-2-en-1-ol is CC(C)O/C=C/CO.
What is the InChIKey of (E)-3-propan-2-yloxyprop-2-en-1-ol?
The InChIKey is BVRARRZVDLSCDV-HWKANZROSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2)8-5-3-4-7/h3,5-7H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-3-propan-2-yloxyprop-2-en-1-ol?
(E)-3-propan-2-yloxyprop-2-en-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-propan-2-yloxyprop-2-en-1-ol is sourced from PubChem (CID 50900194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).