(6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene

C18H35O5PS — CID 102166246

IUPAC(6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CCS(=O)(=O)CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C18H35O5PS/c1-15(2)10-8-11-18(7)12-9-13-25(20,21)14-24(19,22-16(3)4)23-17(5)6/h10,12,16-17H,8-9,11,13-14H2,1-7H3/b18-12+
InChIKeyYJZXMPOWNWSJSK-LDADJPATSA-N
MW394.51 g/mol
LogP5.48
Rot. Bonds12

About (6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene

(6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene (PubChem CID 102166246) has the molecular formula C18H35O5PS and a molecular weight of 394.51 g/mol. Its IUPAC name is (6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene
PubChem CID102166246
Molecular FormulaC18H35O5PS
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name(6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CCS(=O)(=O)CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C18H35O5PS/c1-15(2)10-8-11-18(7)12-9-13-25(20,21)14-24(19,22-16(3)4)23-17(5)6/h10,12,16-17H,8-9,11,13-14H2,1-7H3/b18-12+
InChIKeyYJZXMPOWNWSJSK-LDADJPATSA-N
XLogP5.48
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,6E,10E)-13-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-6,10-dimethyltrideca-2,6,10-triene
CID 102166254
(6E,10E)-13,13-bis[di(propan-2-yloxy)phosphoryl]-2,6,10-trimethyltrideca-2,6,10-triene
CID 86750760
[(3E,7E,11E)-4,8-dimethyltrideca-3,7,11-trienyl]sulfonylmethylphosphonic acid
CID 102166255
(2E,6E)-1-(2-ethylsulfonylethylsulfanyl)-3,7,11-trimethyldodeca-2,6,10-triene
CID 88970906
(6E)-9-di(propan-2-yloxy)phosphoryl-2,6-dimethyl-9-[methyl(propan-2-yloxy)phosphoryl]nona-2,6-diene
CID 134930416
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate
CID 122511254

Frequently Asked Questions

What is the IUPAC name of (6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene?
The IUPAC name of (6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene (CID 102166246) is (6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene.
What is the SMILES notation for (6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene?
The canonical SMILES for (6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene is CC(C)=CCC/C(C)=C/CCS(=O)(=O)CP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of (6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene?
The InChIKey is YJZXMPOWNWSJSK-LDADJPATSA-N. The full InChI is InChI=1S/C18H35O5PS/c1-15(2)10-8-11-18(7)12-9-13-25(20,21)14-24(19,22-16(3)4)23-17(5)6/h10,12,16-17H,8-9,11,13-14H2,1-7H3/b18-12+.
What are the key properties of (6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene?
(6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene has a molecular weight of 394.51 g/mol, XLogP of 5.48, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-9-[di(propan-2-yloxy)phosphorylmethylsulfonyl]-2,6-dimethylnona-2,6-diene is sourced from PubChem (CID 102166246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).