10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol

C13H28O4PS- — CID 140735035

IUPAC10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol
SMILESCC(C)OP([O-])(=S)OCCCCCCCCCCO
InChIInChI=1S/C13H29O4PS/c1-13(2)17-18(15,19)16-12-10-8-6-4-3-5-7-9-11-14/h13-14H,3-12H2,1-2H3,(H,15,19)/p-1
InChIKeyWMKDQFZCFQOGKQ-UHFFFAOYSA-M
MW311.40 g/mol
LogP3.13
Rot. Bonds13

About 10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol

10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol (PubChem CID 140735035) has the molecular formula C13H28O4PS- and a molecular weight of 311.40 g/mol. Its IUPAC name is 10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol.

Molecular Properties

Compound Name10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol
PubChem CID140735035
Molecular FormulaC13H28O4PS-
Molecular Weight311.40 g/mol
Exact Mass311.15
IUPAC Name10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol
SMILESCC(C)OP([O-])(=S)OCCCCCCCCCCO
InChIInChI=1S/C13H29O4PS/c1-13(2)17-18(15,19)16-12-10-8-6-4-3-5-7-9-11-14/h13-14H,3-12H2,1-2H3,(H,15,19)/p-1
InChIKeyWMKDQFZCFQOGKQ-UHFFFAOYSA-M
XLogP3.13
TPSA61.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide
CID 177289165
12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol
CID 123445050
potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane
CID 23711665
hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 151700635
6-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-N-propan-2-ylhexan-1-amine
CID 176838194
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate
CID 90328876
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
5-(3-methylbutan-2-yloxy)pentan-1-ol
CID 58556716

Frequently Asked Questions

What is the IUPAC name of 10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol?
The IUPAC name of 10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol (CID 140735035) is 10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol.
What is the SMILES notation for 10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol?
The canonical SMILES for 10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol is CC(C)OP([O-])(=S)OCCCCCCCCCCO.
What is the InChIKey of 10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol?
The InChIKey is WMKDQFZCFQOGKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H29O4PS/c1-13(2)17-18(15,19)16-12-10-8-6-4-3-5-7-9-11-14/h13-14H,3-12H2,1-2H3,(H,15,19)/p-1.
What are the key properties of 10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol?
10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol has a molecular weight of 311.40 g/mol, XLogP of 3.13, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol is sourced from PubChem (CID 140735035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).