(2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol

C38H70O6Si2 — CID 134941539

IUPAC(2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol
SMILESCOc1ccc(CO[C@@H](C(O)/C=C/CO)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)/C(C)=C\CO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C38H70O6Si2/c1-26(2)45(27(3)4,28(5)6)43-24-22-32(13)37(44-46(29(7)8,30(9)10)31(11)12)33(14)38(36(40)17-16-23-39)42-25-34-18-20-35(41-15)21-19-34/h16-22,26-31,33,36-40H,23-25H2,1-15H3/b17-16+,32-22-/t33-,36?,37+,38-/m1/s1
InChIKeyLAWDWKUDYGDREA-QVULXPKSSA-N
MW679.14 g/mol
LogP9.82
Rot. Bonds21

About (2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol

(2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol (PubChem CID 134941539) has the molecular formula C38H70O6Si2 and a molecular weight of 679.14 g/mol. Its IUPAC name is (2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol.

Molecular Properties

Compound Name(2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol
PubChem CID134941539
Molecular FormulaC38H70O6Si2
Molecular Weight679.14 g/mol
Exact Mass678.47
IUPAC Name(2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol
SMILESCOc1ccc(CO[C@@H](C(O)/C=C/CO)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)/C(C)=C\CO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C38H70O6Si2/c1-26(2)45(27(3)4,28(5)6)43-24-22-32(13)37(44-46(29(7)8,30(9)10)31(11)12)33(14)38(36(40)17-16-23-39)42-25-34-18-20-35(41-15)21-19-34/h16-22,26-31,33,36-40H,23-25H2,1-15H3/b17-16+,32-22-/t33-,36?,37+,38-/m1/s1
InChIKeyLAWDWKUDYGDREA-QVULXPKSSA-N
XLogP9.82
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.14
LogP ≤ 59.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol?
The IUPAC name of (2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol (CID 134941539) is (2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol.
What is the SMILES notation for (2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol?
The canonical SMILES for (2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol is COc1ccc(CO[C@@H](C(O)/C=C/CO)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)/C(C)=C\CO[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of (2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol?
The InChIKey is LAWDWKUDYGDREA-QVULXPKSSA-N. The full InChI is InChI=1S/C38H70O6Si2/c1-26(2)45(27(3)4,28(5)6)43-24-22-32(13)37(44-46(29(7)8,30(9)10)31(11)12)33(14)38(36(40)17-16-23-39)42-25-34-18-20-35(41-15)21-19-34/h16-22,26-31,33,36-40H,23-25H2,1-15H3/b17-16+,32-22-/t33-,36?,37+,38-/m1/s1.
What are the key properties of (2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol?
(2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol has a molecular weight of 679.14 g/mol, XLogP of 9.82, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R,6S,7R,8Z)-5-[(4-methoxyphenyl)methoxy]-6,8-dimethyl-7,10-bis[tri(propan-2-yl)silyloxy]deca-2,8-diene-1,4-diol is sourced from PubChem (CID 134941539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).