1-hydroxypentyl-bis(prop-2-enyl)sulfanium

C11H21OS+ — CID 87747114

IUPAC1-hydroxypentyl-bis(prop-2-enyl)sulfanium
SMILESC=CC[S+](CC=C)C(O)CCCC
InChIInChI=1S/C11H21OS/c1-4-7-8-11(12)13(9-5-2)10-6-3/h5-6,11-12H,2-4,7-10H2,1H3/q+1
InChIKeyWZVKNMKYCDZKLU-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.49
Rot. Bonds8

About 1-hydroxypentyl-bis(prop-2-enyl)sulfanium

1-hydroxypentyl-bis(prop-2-enyl)sulfanium (PubChem CID 87747114) has the molecular formula C11H21OS+ and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-hydroxypentyl-bis(prop-2-enyl)sulfanium.

Molecular Properties

Compound Name1-hydroxypentyl-bis(prop-2-enyl)sulfanium
PubChem CID87747114
Molecular FormulaC11H21OS+
Molecular Weight201.35 g/mol
Exact Mass201.13
IUPAC Name1-hydroxypentyl-bis(prop-2-enyl)sulfanium
SMILESC=CC[S+](CC=C)C(O)CCCC
InChIInChI=1S/C11H21OS/c1-4-7-8-11(12)13(9-5-2)10-6-3/h5-6,11-12H,2-4,7-10H2,1H3/q+1
InChIKeyWZVKNMKYCDZKLU-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1-hydroxypentyl-bis(prop-2-enyl)sulfanium?
The IUPAC name of 1-hydroxypentyl-bis(prop-2-enyl)sulfanium (CID 87747114) is 1-hydroxypentyl-bis(prop-2-enyl)sulfanium.
What is the SMILES notation for 1-hydroxypentyl-bis(prop-2-enyl)sulfanium?
The canonical SMILES for 1-hydroxypentyl-bis(prop-2-enyl)sulfanium is C=CC[S+](CC=C)C(O)CCCC.
What is the InChIKey of 1-hydroxypentyl-bis(prop-2-enyl)sulfanium?
The InChIKey is WZVKNMKYCDZKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21OS/c1-4-7-8-11(12)13(9-5-2)10-6-3/h5-6,11-12H,2-4,7-10H2,1H3/q+1.
What are the key properties of 1-hydroxypentyl-bis(prop-2-enyl)sulfanium?
1-hydroxypentyl-bis(prop-2-enyl)sulfanium has a molecular weight of 201.35 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypentyl-bis(prop-2-enyl)sulfanium is sourced from PubChem (CID 87747114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).