2-[(Z)-prop-1-enoxy]propan-1-ol

C6H12O2 — CID 134346043

IUPAC2-[(Z)-prop-1-enoxy]propan-1-ol
SMILESC/C=C\OC(C)CO
InChIInChI=1S/C6H12O2/c1-3-4-8-6(2)5-7/h3-4,6-7H,5H2,1-2H3/b4-3-
InChIKeyPREHHWPLOMCPEK-ARJAWSKDSA-N
MW116.16 g/mol
LogP0.92
Rot. Bonds3

About 2-[(Z)-prop-1-enoxy]propan-1-ol

2-[(Z)-prop-1-enoxy]propan-1-ol (PubChem CID 134346043) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enoxy]propan-1-ol.

Molecular Properties

Compound Name2-[(Z)-prop-1-enoxy]propan-1-ol
PubChem CID134346043
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-[(Z)-prop-1-enoxy]propan-1-ol
SMILESC/C=C\OC(C)CO
InChIInChI=1S/C6H12O2/c1-3-4-8-6(2)5-7/h3-4,6-7H,5H2,1-2H3/b4-3-
InChIKeyPREHHWPLOMCPEK-ARJAWSKDSA-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 2-[(Z)-prop-1-enoxy]propan-1-ol?
The IUPAC name of 2-[(Z)-prop-1-enoxy]propan-1-ol (CID 134346043) is 2-[(Z)-prop-1-enoxy]propan-1-ol.
What is the SMILES notation for 2-[(Z)-prop-1-enoxy]propan-1-ol?
The canonical SMILES for 2-[(Z)-prop-1-enoxy]propan-1-ol is C/C=C\OC(C)CO.
What is the InChIKey of 2-[(Z)-prop-1-enoxy]propan-1-ol?
The InChIKey is PREHHWPLOMCPEK-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-4-8-6(2)5-7/h3-4,6-7H,5H2,1-2H3/b4-3-.
What are the key properties of 2-[(Z)-prop-1-enoxy]propan-1-ol?
2-[(Z)-prop-1-enoxy]propan-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 2-[(Z)-prop-1-enoxy]propan-1-ol is sourced from PubChem (CID 134346043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).