dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane

C18H35Cl2OPS — CID 118211592

IUPACdichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane
SMILESCCCCCCCC/C=C\CCCCCCCCOP(=S)(Cl)Cl
InChIInChI=1S/C18H35Cl2OPS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19,20)23/h9-10H,2-8,11-18H2,1H3/b10-9-
InChIKeyRPASGNMTXAXHLS-KTKRTIGZSA-N
MW401.42 g/mol
LogP8.74
Rot. Bonds17

About dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane

dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane (PubChem CID 118211592) has the molecular formula C18H35Cl2OPS and a molecular weight of 401.42 g/mol. Its IUPAC name is dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane
PubChem CID118211592
Molecular FormulaC18H35Cl2OPS
Molecular Weight401.42 g/mol
Exact Mass400.15
IUPAC Namedichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane
SMILESCCCCCCCC/C=C\CCCCCCCCOP(=S)(Cl)Cl
InChIInChI=1S/C18H35Cl2OPS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19,20)23/h9-10H,2-8,11-18H2,1H3/b10-9-
InChIKeyRPASGNMTXAXHLS-KTKRTIGZSA-N
XLogP8.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[(E)-octadec-9-enoxy]-oxido-sulfanylidene-λ5-phosphane
CID 58049486
dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane
CID 76673105
O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine
CID 89066232
hydroxy-methylperoxy-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane
CID 126575505
[(Z)-hexadec-9-enyl] dihydrogen phosphate
CID 122597985
(E)-hexadec-6-ene
CID 5352260
(Z)-tricos-11-ene
CID 5356790
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane?
The IUPAC name of dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane (CID 118211592) is dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane?
The canonical SMILES for dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane is CCCCCCCC/C=C\CCCCCCCCOP(=S)(Cl)Cl.
What is the InChIKey of dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane?
The InChIKey is RPASGNMTXAXHLS-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H35Cl2OPS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19,20)23/h9-10H,2-8,11-18H2,1H3/b10-9-.
What are the key properties of dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane?
dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane has a molecular weight of 401.42 g/mol, XLogP of 8.74, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 118211592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).