(2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol

C41H66O4Si2 — CID 11093648

IUPAC(2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol
SMILESCOC/C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C(\C)CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)/C=C/C=C\CO
InChIInChI=1S/C41H66O4Si2/c1-32(2)46(33(3)4,34(5)6)45-40(36(8)22-16-15-21-29-42)28-27-35(7)37(30-43-12)31-44-47(41(9,10)11,38-23-17-13-18-24-38)39-25-19-14-20-26-39/h13-26,32-34,36,40,42H,27-31H2,1-12H3/b21-15-,22-16+,37-35-/t36-,40-/m0/s1
InChIKeyMPZDYDGTQWURER-ZCJLLOFCSA-N
MW679.15 g/mol
LogP9.61
Rot. Bonds19

About (2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol

(2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol (PubChem CID 11093648) has the molecular formula C41H66O4Si2 and a molecular weight of 679.15 g/mol. Its IUPAC name is (2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol.

Molecular Properties

Compound Name(2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol
PubChem CID11093648
Molecular FormulaC41H66O4Si2
Molecular Weight679.15 g/mol
Exact Mass678.45
IUPAC Name(2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol
SMILESCOC/C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C(\C)CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)/C=C/C=C\CO
InChIInChI=1S/C41H66O4Si2/c1-32(2)46(33(3)4,34(5)6)45-40(36(8)22-16-15-21-29-42)28-27-35(7)37(30-43-12)31-44-47(41(9,10)11,38-23-17-13-18-24-38)39-25-19-14-20-26-39/h13-26,32-34,36,40,42H,27-31H2,1-12H3/b21-15-,22-16+,37-35-/t36-,40-/m0/s1
InChIKeyMPZDYDGTQWURER-ZCJLLOFCSA-N
XLogP9.61
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.15
LogP ≤ 59.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol with MolForge

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Related Compounds

(E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione
CID 71480533
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol
CID 99772953
(6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydecane-2,8-dione
CID 71480534
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
CID 177462583
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
methyl (5S,6E,8Z)-5,11-bis[[tert-butyl(diphenyl)silyl]oxy]undeca-6,8-dienoate
CID 15462043
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol?
The IUPAC name of (2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol (CID 11093648) is (2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol.
What is the SMILES notation for (2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol?
The canonical SMILES for (2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol is COC/C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C(\C)CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)/C=C/C=C\CO.
What is the InChIKey of (2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol?
The InChIKey is MPZDYDGTQWURER-ZCJLLOFCSA-N. The full InChI is InChI=1S/C41H66O4Si2/c1-32(2)46(33(3)4,34(5)6)45-40(36(8)22-16-15-21-29-42)28-27-35(7)37(30-43-12)31-44-47(41(9,10)11,38-23-17-13-18-24-38)39-25-19-14-20-26-39/h13-26,32-34,36,40,42H,27-31H2,1-12H3/b21-15-,22-16+,37-35-/t36-,40-/m0/s1.
What are the key properties of (2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol?
(2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol has a molecular weight of 679.15 g/mol, XLogP of 9.61, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6S,7S,10Z)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methoxy-6,10-dimethyl-7-tri(propan-2-yl)silyloxydodeca-2,4,10-trien-1-ol is sourced from PubChem (CID 11093648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).