10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium

C20H37OS+ — CID 23326632

IUPAC10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium
SMILESC=CC[S+](CC=C)CCCCCCCCCCC1CCCO1
InChIInChI=1S/C20H37OS/c1-3-17-22(18-4-2)19-12-10-8-6-5-7-9-11-14-20-15-13-16-21-20/h3-4,20H,1-2,5-19H2/q+1
InChIKeyURNUFOCHNXXBRC-UHFFFAOYSA-N
MW325.58 g/mol
LogP5.67
Rot. Bonds15

About 10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium

10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium (PubChem CID 23326632) has the molecular formula C20H37OS+ and a molecular weight of 325.58 g/mol. Its IUPAC name is 10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium.

Molecular Properties

Compound Name10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium
PubChem CID23326632
Molecular FormulaC20H37OS+
Molecular Weight325.58 g/mol
Exact Mass325.26
IUPAC Name10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium
SMILESC=CC[S+](CC=C)CCCCCCCCCCC1CCCO1
InChIInChI=1S/C20H37OS/c1-3-17-22(18-4-2)19-12-10-8-6-5-7-9-11-14-20-15-13-16-21-20/h3-4,20H,1-2,5-19H2/q+1
InChIKeyURNUFOCHNXXBRC-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium?
The IUPAC name of 10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium (CID 23326632) is 10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium.
What is the SMILES notation for 10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium?
The canonical SMILES for 10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium is C=CC[S+](CC=C)CCCCCCCCCCC1CCCO1.
What is the InChIKey of 10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium?
The InChIKey is URNUFOCHNXXBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37OS/c1-3-17-22(18-4-2)19-12-10-8-6-5-7-9-11-14-20-15-13-16-21-20/h3-4,20H,1-2,5-19H2/q+1.
What are the key properties of 10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium?
10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium has a molecular weight of 325.58 g/mol, XLogP of 5.67, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(oxolan-2-yl)decyl-bis(prop-2-enyl)sulfanium is sourced from PubChem (CID 23326632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).