oxan-2-yl-propyl-propylidene-λ4-sulfane

C11H22OS — CID 57111645

IUPACoxan-2-yl-propyl-propylidene-λ4-sulfane
SMILESCCC=S(CCC)C1CCCCO1
InChIInChI=1S/C11H22OS/c1-3-9-13(10-4-2)11-7-5-6-8-12-11/h9,11H,3-8,10H2,1-2H3
InChIKeyUSWKLGUFZNFWKI-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.40
Rot. Bonds4

About oxan-2-yl-propyl-propylidene-λ4-sulfane

oxan-2-yl-propyl-propylidene-λ4-sulfane (PubChem CID 57111645) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is oxan-2-yl-propyl-propylidene-λ4-sulfane.

Molecular Properties

Compound Nameoxan-2-yl-propyl-propylidene-λ4-sulfane
PubChem CID57111645
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Nameoxan-2-yl-propyl-propylidene-λ4-sulfane
SMILESCCC=S(CCC)C1CCCCO1
InChIInChI=1S/C11H22OS/c1-3-9-13(10-4-2)11-7-5-6-8-12-11/h9,11H,3-8,10H2,1-2H3
InChIKeyUSWKLGUFZNFWKI-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze oxan-2-yl-propyl-propylidene-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl-propyl-propylidene-λ4-sulfane?
The IUPAC name of oxan-2-yl-propyl-propylidene-λ4-sulfane (CID 57111645) is oxan-2-yl-propyl-propylidene-λ4-sulfane.
What is the SMILES notation for oxan-2-yl-propyl-propylidene-λ4-sulfane?
The canonical SMILES for oxan-2-yl-propyl-propylidene-λ4-sulfane is CCC=S(CCC)C1CCCCO1.
What is the InChIKey of oxan-2-yl-propyl-propylidene-λ4-sulfane?
The InChIKey is USWKLGUFZNFWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-3-9-13(10-4-2)11-7-5-6-8-12-11/h9,11H,3-8,10H2,1-2H3.
What are the key properties of oxan-2-yl-propyl-propylidene-λ4-sulfane?
oxan-2-yl-propyl-propylidene-λ4-sulfane has a molecular weight of 202.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl-propyl-propylidene-λ4-sulfane is sourced from PubChem (CID 57111645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).