2-propoxybut-1-ene

C7H14O — CID 22498061

IUPAC2-propoxybut-1-ene
SMILESC=C(CC)OCCC
InChIInChI=1S/C7H14O/c1-4-6-8-7(3)5-2/h3-6H2,1-2H3
InChIKeyDSNAENMWBFFBOE-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.34
Rot. Bonds4

About 2-propoxybut-1-ene

2-propoxybut-1-ene (PubChem CID 22498061) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-propoxybut-1-ene.

Molecular Properties

Compound Name2-propoxybut-1-ene
PubChem CID22498061
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-propoxybut-1-ene
SMILESC=C(CC)OCCC
InChIInChI=1S/C7H14O/c1-4-6-8-7(3)5-2/h3-6H2,1-2H3
InChIKeyDSNAENMWBFFBOE-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-propoxyprop-2-en-1-amine
CID 129234391
2-propoxyprop-2-en-1-ol
CID 89416516
1-but-1-en-2-yloxyhexane
CID 57257919
1-(1-bromoethenoxy)propane
CID 59930688
1-(1-fluoroethenoxy)propane
CID 22996827
2-[2-(2-but-1-en-2-yloxyethoxy)ethoxy]ethanol
CID 18913851
2-(methoxymethoxy)but-1-ene
CID 13107534
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
3-ethenoxy-2-propoxyprop-1-ene
CID 87965615
2-(deuteriooxymethoxy)but-1-ene
CID 88855358
2-ethoxybut-1-ene;2-methoxybut-1-ene
CID 139345076
1-propoxyethenylhydrazine
CID 157287762

Frequently Asked Questions

What is the IUPAC name of 2-propoxybut-1-ene?
The IUPAC name of 2-propoxybut-1-ene (CID 22498061) is 2-propoxybut-1-ene.
What is the SMILES notation for 2-propoxybut-1-ene?
The canonical SMILES for 2-propoxybut-1-ene is C=C(CC)OCCC.
What is the InChIKey of 2-propoxybut-1-ene?
The InChIKey is DSNAENMWBFFBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-6-8-7(3)5-2/h3-6H2,1-2H3.
What are the key properties of 2-propoxybut-1-ene?
2-propoxybut-1-ene has a molecular weight of 114.19 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxybut-1-ene is sourced from PubChem (CID 22498061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).