(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol

C21H40O2Si — CID 23726370

IUPAC(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
SMILESC=C(/C=C(\C)[C@H](CC)O[Si](CC)(CC)CC)C[C@H](C)[C@@H](O)C(=C)C
InChIInChI=1S/C21H40O2Si/c1-10-20(23-24(11-2,12-3)13-4)18(8)14-17(7)15-19(9)21(22)16(5)6/h14,19-22H,5,7,10-13,15H2,1-4,6,8-9H3/b18-14+/t19-,20-,21-/m0/s1
InChIKeyQOXVEYODFHSAEY-PNVRCKIDSA-N
MW352.64 g/mol
LogP6.25
Rot. Bonds12

About (3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol

(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol (PubChem CID 23726370) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is (3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol.

Molecular Properties

Compound Name(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
PubChem CID23726370
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Name(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
SMILESC=C(/C=C(\C)[C@H](CC)O[Si](CC)(CC)CC)C[C@H](C)[C@@H](O)C(=C)C
InChIInChI=1S/C21H40O2Si/c1-10-20(23-24(11-2,12-3)13-4)18(8)14-17(7)15-19(9)21(22)16(5)6/h14,19-22H,5,7,10-13,15H2,1-4,6,8-9H3/b18-14+/t19-,20-,21-/m0/s1
InChIKeyQOXVEYODFHSAEY-PNVRCKIDSA-N
XLogP6.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.64
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol?
The IUPAC name of (3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol (CID 23726370) is (3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol.
What is the SMILES notation for (3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol?
The canonical SMILES for (3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol is C=C(/C=C(\C)[C@H](CC)O[Si](CC)(CC)CC)C[C@H](C)[C@@H](O)C(=C)C.
What is the InChIKey of (3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol?
The InChIKey is QOXVEYODFHSAEY-PNVRCKIDSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-10-20(23-24(11-2,12-3)13-4)18(8)14-17(7)15-19(9)21(22)16(5)6/h14,19-22H,5,7,10-13,15H2,1-4,6,8-9H3/b18-14+/t19-,20-,21-/m0/s1.
What are the key properties of (3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol?
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol has a molecular weight of 352.64 g/mol, XLogP of 6.25, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol is sourced from PubChem (CID 23726370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).