hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane

C12H27O2PS — CID 170936670

IUPAChydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane
SMILESCC(C)CCCCCCOP(O)(=S)C(C)C
InChIInChI=1S/C12H27O2PS/c1-11(2)9-7-5-6-8-10-14-15(13,16)12(3)4/h11-12H,5-10H2,1-4H3,(H,13,16)
InChIKeyWYVDFPIOAHAAKW-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.32
Rot. Bonds9

About hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane

hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane (PubChem CID 170936670) has the molecular formula C12H27O2PS and a molecular weight of 266.39 g/mol. Its IUPAC name is hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane
PubChem CID170936670
Molecular FormulaC12H27O2PS
Molecular Weight266.39 g/mol
Exact Mass266.15
IUPAC Namehydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane
SMILESCC(C)CCCCCCOP(O)(=S)C(C)C
InChIInChI=1S/C12H27O2PS/c1-11(2)9-7-5-6-8-10-14-15(13,16)12(3)4/h11-12H,5-10H2,1-4H3,(H,13,16)
InChIKeyWYVDFPIOAHAAKW-UHFFFAOYSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
bis(20-methylhenicosyl) hydrogen phosphate
CID 141458391
bis(12-methyltridecyl) hydrogen phosphate
CID 141458390
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
[hydroxy(6-methylheptoxy)phosphoryl] 6-methylheptyl hydrogen phosphate
CID 534663
methyl 6-methylheptyl hydrogen phosphate
CID 174422400
bis(10-methylundecyl) hydrogen phosphate;ethane-1,1,1,2,2,2-hexol
CID 175031846
ethyl 16-methylheptadecyl hydrogen phosphate
CID 174994214
8-methylnonyl diphosphono phosphate
CID 174558463
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205

Frequently Asked Questions

What is the IUPAC name of hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane (CID 170936670) is hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane is CC(C)CCCCCCOP(O)(=S)C(C)C.
What is the InChIKey of hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane?
The InChIKey is WYVDFPIOAHAAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O2PS/c1-11(2)9-7-5-6-8-10-14-15(13,16)12(3)4/h11-12H,5-10H2,1-4H3,(H,13,16).
What are the key properties of hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane?
hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane has a molecular weight of 266.39 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(7-methyloctoxy)-propan-2-yl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 170936670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).