di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane

C9H19O3PS — CID 54040298

IUPACdi(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane
SMILESC=CCOP(=S)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19O3PS/c1-6-7-10-13(14,11-8(2)3)12-9(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyLLVLMLAVHXVMMS-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.26
Rot. Bonds7

About di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane

di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane (PubChem CID 54040298) has the molecular formula C9H19O3PS and a molecular weight of 238.29 g/mol. Its IUPAC name is di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedi(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane
PubChem CID54040298
Molecular FormulaC9H19O3PS
Molecular Weight238.29 g/mol
Exact Mass238.08
IUPAC Namedi(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane
SMILESC=CCOP(=S)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19O3PS/c1-6-7-10-13(14,11-8(2)3)12-9(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyLLVLMLAVHXVMMS-UHFFFAOYSA-N
XLogP3.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methoxy-bis(prop-2-enoxy)-sulfanylidene-λ5-phosphane
CID 15367276
3-di(propan-2-yloxy)phosphoryloxyprop-1-enylideneazanide
CID 140696375
bis(oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane);titanium(4+)
CID 87309852
iron(2+);oxido-prop-2-enoxy-sulfanylidene-sulfido-λ5-phosphane
CID 87288661
azane;hydroxy-prop-2-enoxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 87783945
2,5-dimethyl-1,1-bis(prop-2-enylperoxy)hexane
CID 19816382
bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 101005346
2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 129387352
2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane
CID 88761277
1-prop-2-enylperoxyethanol
CID 10077060
prop-2-enyl 2-aminopropanoate
CID 91515395
sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide
CID 23701941

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane (CID 54040298) is di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane is C=CCOP(=S)(OC(C)C)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane?
The InChIKey is LLVLMLAVHXVMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3PS/c1-6-7-10-13(14,11-8(2)3)12-9(4)5/h6,8-9H,1,7H2,2-5H3.
What are the key properties of di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane?
di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane has a molecular weight of 238.29 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54040298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).