1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane

C14H28OS — CID 142050813

IUPAC1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane
SMILESC=C(C)OCCCC.C=C(C)SCCCC
InChIInChI=1S/C7H14O.C7H14S/c2*1-4-5-6-8-7(2)3/h2*2,4-6H2,1,3H3
InChIKeyYVUYBVWJIMSUAE-UHFFFAOYSA-N
MW244.44 g/mol
LogP5.39
Rot. Bonds8

About 1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane

1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane (PubChem CID 142050813) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is 1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane.

Molecular Properties

Compound Name1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane
PubChem CID142050813
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane
SMILESC=C(C)OCCCC.C=C(C)SCCCC
InChIInChI=1S/C7H14O.C7H14S/c2*1-4-5-6-8-7(2)3/h2*2,4-6H2,1,3H3
InChIKeyYVUYBVWJIMSUAE-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
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 1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane?
The IUPAC name of 1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane (CID 142050813) is 1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane.
What is the SMILES notation for 1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane?
The canonical SMILES for 1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane is C=C(C)OCCCC.C=C(C)SCCCC.
What is the InChIKey of 1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane?
The InChIKey is YVUYBVWJIMSUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C7H14S/c2*1-4-5-6-8-7(2)3/h2*2,4-6H2,1,3H3.
What are the key properties of 1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane?
1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane has a molecular weight of 244.44 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yloxybutane;1-prop-1-en-2-ylsulfanylbutane is sourced from PubChem (CID 142050813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).