(4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol

C20H37IO2Si — CID 138977130

IUPAC(4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol
SMILESC=CC[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/I
InChIInChI=1S/C20H37IO2Si/c1-8-13-19(22)16(6)14-18(9-2)20(17(7)15-21)23-24(10-3,11-4)12-5/h8,14-15,18-20,22H,1,9-13H2,2-7H3/b16-14+,17-15+/t18-,19-,20-/m0/s1
InChIKeyVIJJGZSPAFIVJO-MXSLJCGYSA-N
MW464.50 g/mol
LogP6.63
Rot. Bonds12

About (4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol

(4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol (PubChem CID 138977130) has the molecular formula C20H37IO2Si and a molecular weight of 464.50 g/mol. Its IUPAC name is (4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol.

Molecular Properties

Compound Name(4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol
PubChem CID138977130
Molecular FormulaC20H37IO2Si
Molecular Weight464.50 g/mol
Exact Mass464.16
IUPAC Name(4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol
SMILESC=CC[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/I
InChIInChI=1S/C20H37IO2Si/c1-8-13-19(22)16(6)14-18(9-2)20(17(7)15-21)23-24(10-3,11-4)12-5/h8,14-15,18-20,22H,1,9-13H2,2-7H3/b16-14+,17-15+/t18-,19-,20-/m0/s1
InChIKeyVIJJGZSPAFIVJO-MXSLJCGYSA-N
XLogP6.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol 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

(1E,3R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-1-iodo-2,6-dimethyldeca-1,5,9-trien-3-ol
CID 134953226
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol
CID 11709440
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(1E,4R,5R,6E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-2,5,7-trimethylocta-1,6-dien-4-ol
CID 17755058
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol
CID 46180291
(2E,4Z,6Z,8S,9S,10E)-13-[tert-butyl(dimethyl)silyl]oxy-4,6,8,11-tetramethyltrideca-2,4,6,10-tetraene-1,9-diol
CID 46180292
(2R,3S,4E,6R,7S,8Z)-3,5,7-trimethyl-2-triethylsilyloxydodeca-4,8-dien-10-yn-6-ol
CID 49836104
(1R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-iodo-6-methylcyclohex-2-en-1-ol
CID 53388758

Frequently Asked Questions

What is the IUPAC name of (4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol?
The IUPAC name of (4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol (CID 138977130) is (4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol.
What is the SMILES notation for (4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol?
The canonical SMILES for (4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol is C=CC[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/I.
What is the InChIKey of (4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol?
The InChIKey is VIJJGZSPAFIVJO-MXSLJCGYSA-N. The full InChI is InChI=1S/C20H37IO2Si/c1-8-13-19(22)16(6)14-18(9-2)20(17(7)15-21)23-24(10-3,11-4)12-5/h8,14-15,18-20,22H,1,9-13H2,2-7H3/b16-14+,17-15+/t18-,19-,20-/m0/s1.
What are the key properties of (4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol?
(4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol has a molecular weight of 464.50 g/mol, XLogP of 6.63, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-ol is sourced from PubChem (CID 138977130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).