(2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol

C64H112O2Si — CID 10975083

IUPAC(2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(=C\CC[C@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)CO
InChIInChI=1S/C64H112O2Si/c1-51(2)28-18-29-55(9)30-19-31-56(10)32-20-33-57(11)34-21-35-58(12)36-22-37-59(13)38-23-39-60(14)40-24-41-61(15)42-25-43-62(16)44-26-46-64(50-65)47-27-45-63(17)48-49-66-67(52(3)4,53(5)6)54(7)8/h28,30,32,34,36,38,40,42,44,47,52-54,63,65H,18-27,29,31,33,35,37,39,41,43,45-46,48-50H2,1-17H3/b55-30+,56-32+,57-34-,58-36-,59-38-,60-40-,61-42-,62-44-,64-47+/t63-/m0/s1
InChIKeyUKBAUWYQJKVDJQ-YOKRFRJRSA-N
MW941.68 g/mol
LogP21.46
Rot. Bonds38

About (2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol

(2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol (PubChem CID 10975083) has the molecular formula C64H112O2Si and a molecular weight of 941.68 g/mol. Its IUPAC name is (2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol.

Molecular Properties

Compound Name(2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol
PubChem CID10975083
Molecular FormulaC64H112O2Si
Molecular Weight941.68 g/mol
Exact Mass940.84
IUPAC Name(2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(=C\CC[C@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)CO
InChIInChI=1S/C64H112O2Si/c1-51(2)28-18-29-55(9)30-19-31-56(10)32-20-33-57(11)34-21-35-58(12)36-22-37-59(13)38-23-39-60(14)40-24-41-61(15)42-25-43-62(16)44-26-46-64(50-65)47-27-45-63(17)48-49-66-67(52(3)4,53(5)6)54(7)8/h28,30,32,34,36,38,40,42,44,47,52-54,63,65H,18-27,29,31,33,35,37,39,41,43,45-46,48-50H2,1-17H3/b55-30+,56-32+,57-34-,58-36-,59-38-,60-40-,61-42-,62-44-,64-47+/t63-/m0/s1
InChIKeyUKBAUWYQJKVDJQ-YOKRFRJRSA-N
XLogP21.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds38
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.68
LogP ≤ 521.46
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'}

Analyze (2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol with MolForge

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Related Compounds

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CID 11255806
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
7-[Tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol
CID 78136613
(E,2R,3R)-2,4,6,6-tetramethyl-1-triethylsilyloxyhept-4-en-3-ol
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Frequently Asked Questions

What is the IUPAC name of (2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol?
The IUPAC name of (2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol (CID 10975083) is (2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol.
What is the SMILES notation for (2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol?
The canonical SMILES for (2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(=C\CC[C@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)CO.
What is the InChIKey of (2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol?
The InChIKey is UKBAUWYQJKVDJQ-YOKRFRJRSA-N. The full InChI is InChI=1S/C64H112O2Si/c1-51(2)28-18-29-55(9)30-19-31-56(10)32-20-33-57(11)34-21-35-58(12)36-22-37-59(13)38-23-39-60(14)40-24-41-61(15)42-25-43-62(16)44-26-46-64(50-65)47-27-45-63(17)48-49-66-67(52(3)4,53(5)6)54(7)8/h28,30,32,34,36,38,40,42,44,47,52-54,63,65H,18-27,29,31,33,35,37,39,41,43,45-46,48-50H2,1-17H3/b55-30+,56-32+,57-34-,58-36-,59-38-,60-40-,61-42-,62-44-,64-47+/t63-/m0/s1.
What are the key properties of (2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol?
(2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol has a molecular weight of 941.68 g/mol, XLogP of 21.46, 38 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z,9Z,13Z,17Z,21Z,25Z,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethyl-2-[(4S)-4-methyl-6-tri(propan-2-yl)silyloxyhexylidene]nonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ol is sourced from PubChem (CID 10975083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).