12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol

C13H29O4PS — CID 123445050

IUPAC12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol
SMILESCOP(O)(=S)OCCCCCCCCCCCCO
InChIInChI=1S/C13H29O4PS/c1-16-18(15,19)17-13-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3,(H,15,19)
InChIKeyRCSTZLHQUIRPDX-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.76
Rot. Bonds14

About 12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol

12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol (PubChem CID 123445050) has the molecular formula C13H29O4PS and a molecular weight of 312.41 g/mol. Its IUPAC name is 12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol.

Molecular Properties

Compound Name12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol
PubChem CID123445050
Molecular FormulaC13H29O4PS
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Name12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol
SMILESCOP(O)(=S)OCCCCCCCCCCCCO
InChIInChI=1S/C13H29O4PS/c1-16-18(15,19)17-13-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3,(H,15,19)
InChIKeyRCSTZLHQUIRPDX-UHFFFAOYSA-N
XLogP3.76
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine
CID 177366148
6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine
CID 177366153
hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane
CID 58974551
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
10-[oxido(propan-2-yloxy)phosphinothioyl]oxydecan-1-ol
CID 140735035
3-[hydroxy(sulfanyl)phosphinothioyl]oxypropan-1-ol
CID 152706719
hexa-1,3,5-triyne;1-[hydroxy(methoxy)phosphinothioyl]oxytricosan-8-one;methane;methanol
CID 159802693
methoxymethane;octane-1,8-diol
CID 175193596
hydroxy-dimethoxy-sulfanylidene-λ5-phosphane
CID 158776888
butyl 4-hydroxybutyl methyl phosphate
CID 71322599

Frequently Asked Questions

What is the IUPAC name of 12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol?
The IUPAC name of 12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol (CID 123445050) is 12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol.
What is the SMILES notation for 12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol?
The canonical SMILES for 12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol is COP(O)(=S)OCCCCCCCCCCCCO.
What is the InChIKey of 12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol?
The InChIKey is RCSTZLHQUIRPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O4PS/c1-16-18(15,19)17-13-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3,(H,15,19).
What are the key properties of 12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol?
12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol has a molecular weight of 312.41 g/mol, XLogP of 3.76, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol is sourced from PubChem (CID 123445050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).