hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane

C8H19O3PS — CID 3061884

IUPAChexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane
SMILESCCCCC(C)OP(=S)(OC)OC
InChIInChI=1S/C8H19O3PS/c1-5-6-7-8(2)11-12(13,9-3)10-4/h8H,5-7H2,1-4H3
InChIKeyGUJCTFUPYTZUMH-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.10
Rot. Bonds7

About hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane

hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 3061884) has the molecular formula C8H19O3PS and a molecular weight of 226.28 g/mol. Its IUPAC name is hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namehexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane
PubChem CID3061884
Molecular FormulaC8H19O3PS
Molecular Weight226.28 g/mol
Exact Mass226.08
IUPAC Namehexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane
SMILESCCCCC(C)OP(=S)(OC)OC
InChIInChI=1S/C8H19O3PS/c1-5-6-7-8(2)11-12(13,9-3)10-4/h8H,5-7H2,1-4H3
InChIKeyGUJCTFUPYTZUMH-UHFFFAOYSA-N
XLogP3.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O,O-Dihexyl dithiophosphate
CID 18680
Phosphorothioic acid, S-butyl O,O-diethyl ester
CID 209696
Phosphorothioic acid, O,O-diethyl S-hexyl ester
CID 167139
O-Cyclohexyl O,O-dimethyl phosphorothioate
CID 170936
Phosphorothioic acid, O,O-dimethyl S-pentyl ester
CID 3061883
O,O'O''-Triphenylphosphorothioate
CID 575347
Phosphorothioic acid, O,O-diethyl S-heptyl ester
CID 209697
O,O-Diethyl O-octan-2-yl phosphorothioate
CID 209699
Phosphonothioic acid, methyl-, O-ethyl S-pentyl ester, (+-)-
CID 3049707
Phosphonothioic acid, methyl-, O-ethyl S-pentyl ester, (+)-
CID 3049715
Phosphonothioic acid, methyl-, O-ethyl S-pentyl ester, (-)-
CID 3049716
Phosphorothioic acid, O,O-bis(2-methoxyethyl) S-hexyl ester
CID 3055271

Frequently Asked Questions

What is the IUPAC name of hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane (CID 3061884) is hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane is CCCCC(C)OP(=S)(OC)OC.
What is the InChIKey of hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is GUJCTFUPYTZUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3PS/c1-5-6-7-8(2)11-12(13,9-3)10-4/h8H,5-7H2,1-4H3.
What are the key properties of hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane?
hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 226.28 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3061884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).