4-prop-1-enoxybutan-2-ol

C7H14O2 — CID 57035345

IUPAC4-prop-1-enoxybutan-2-ol
SMILESCC=COCCC(C)O
InChIInChI=1S/C7H14O2/c1-3-5-9-6-4-7(2)8/h3,5,7-8H,4,6H2,1-2H3
InChIKeyOOYYMSXVQINCNK-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.31
Rot. Bonds4

About 4-prop-1-enoxybutan-2-ol

4-prop-1-enoxybutan-2-ol (PubChem CID 57035345) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-prop-1-enoxybutan-2-ol.

Molecular Properties

Compound Name4-prop-1-enoxybutan-2-ol
PubChem CID57035345
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name4-prop-1-enoxybutan-2-ol
SMILESCC=COCCC(C)O
InChIInChI=1S/C7H14O2/c1-3-5-9-6-4-7(2)8/h3,5,7-8H,4,6H2,1-2H3
InChIKeyOOYYMSXVQINCNK-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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-enoxybutan-2-ol?
The IUPAC name of 4-prop-1-enoxybutan-2-ol (CID 57035345) is 4-prop-1-enoxybutan-2-ol.
What is the SMILES notation for 4-prop-1-enoxybutan-2-ol?
The canonical SMILES for 4-prop-1-enoxybutan-2-ol is CC=COCCC(C)O.
What is the InChIKey of 4-prop-1-enoxybutan-2-ol?
The InChIKey is OOYYMSXVQINCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-5-9-6-4-7(2)8/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 4-prop-1-enoxybutan-2-ol?
4-prop-1-enoxybutan-2-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 4-prop-1-enoxybutan-2-ol is sourced from PubChem (CID 57035345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).