dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane

C18H35O3PS — CID 76673105

IUPACdihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCC=CCC=CCCCCCCCCOP(O)(O)=S
InChIInChI=1S/C18H35O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19,20)23/h6-7,9-10H,2-5,8,11-18H2,1H3,(H2,19,20,23)
InChIKeyGHARPDAPUPFNHH-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.03
Rot. Bonds16

About dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane

dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane (PubChem CID 76673105) has the molecular formula C18H35O3PS and a molecular weight of 362.52 g/mol. Its IUPAC name is dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane
PubChem CID76673105
Molecular FormulaC18H35O3PS
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Namedihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCC=CCC=CCCCCCCCCOP(O)(O)=S
InChIInChI=1S/C18H35O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19,20)23/h6-7,9-10H,2-5,8,11-18H2,1H3,(H2,19,20,23)
InChIKeyGHARPDAPUPFNHH-UHFFFAOYSA-N
XLogP6.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.03
H-Bond Donors ≤ 52
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
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
dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane
CID 118211592
18-hydroperoxyoctadeca-6,9-diene
CID 54146645
1-dihydroxyphosphinothioyloxy-3-octadec-9-enoxypropan-2-ol
CID 72986618
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(Z)-N-(2-dihydroxyphosphinothioyloxyethyl)octadec-9-enamide
CID 122191542
tris((2S)-2,6-diaminohexanoic acid);bis(dihydroxy-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane)
CID 91810829

Frequently Asked Questions

What is the IUPAC name of dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane (CID 76673105) is dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane is CCCCCC=CCC=CCCCCCCCCOP(O)(O)=S.
What is the InChIKey of dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane?
The InChIKey is GHARPDAPUPFNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19,20)23/h6-7,9-10H,2-5,8,11-18H2,1H3,(H2,19,20,23).
What are the key properties of dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane?
dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane has a molecular weight of 362.52 g/mol, XLogP of 6.03, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 76673105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).