(2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol

C22H44O4Si — CID 11545808

IUPAC(2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol
SMILESC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C[C@@H](C)/C=C(\C)CO)OCOC
InChIInChI=1S/C22H44O4Si/c1-11-21(26-27(16(2)3,17(4)5)18(6)7)22(25-15-24-10)13-19(8)12-20(9)14-23/h11-12,16-19,21-23H,1,13-15H2,2-10H3/b20-12+/t19-,21-,22-/m0/s1
InChIKeyKIHWLJUPRZEQBE-GHWFCNEASA-N
MW400.68 g/mol
LogP5.69
Rot. Bonds14

About (2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol

(2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol (PubChem CID 11545808) has the molecular formula C22H44O4Si and a molecular weight of 400.68 g/mol. Its IUPAC name is (2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol.

Molecular Properties

Compound Name(2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol
PubChem CID11545808
Molecular FormulaC22H44O4Si
Molecular Weight400.68 g/mol
Exact Mass400.30
IUPAC Name(2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol
SMILESC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C[C@@H](C)/C=C(\C)CO)OCOC
InChIInChI=1S/C22H44O4Si/c1-11-21(26-27(16(2)3,17(4)5)18(6)7)22(25-15-24-10)13-19(8)12-20(9)14-23/h11-12,16-19,21-23H,1,13-15H2,2-10H3/b20-12+/t19-,21-,22-/m0/s1
InChIKeyKIHWLJUPRZEQBE-GHWFCNEASA-N
XLogP5.69
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol?
The IUPAC name of (2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol (CID 11545808) is (2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol.
What is the SMILES notation for (2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol?
The canonical SMILES for (2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol is C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C[C@@H](C)/C=C(\C)CO)OCOC.
What is the InChIKey of (2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol?
The InChIKey is KIHWLJUPRZEQBE-GHWFCNEASA-N. The full InChI is InChI=1S/C22H44O4Si/c1-11-21(26-27(16(2)3,17(4)5)18(6)7)22(25-15-24-10)13-19(8)12-20(9)14-23/h11-12,16-19,21-23H,1,13-15H2,2-10H3/b20-12+/t19-,21-,22-/m0/s1.
What are the key properties of (2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol?
(2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol has a molecular weight of 400.68 g/mol, XLogP of 5.69, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,6S,7S)-6-(methoxymethoxy)-2,4-dimethyl-7-tri(propan-2-yl)silyloxynona-2,8-dien-1-ol is sourced from PubChem (CID 11545808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).