(1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol

C31H60O4Si2 — CID 51051385

IUPAC(1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol
SMILESC=C(CCCC)[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C=C/[C@@H](O)[C@H]1CC[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C31H60O4Si2/c1-14-15-17-24(2)29(35-37(12,13)31(7,8)9)25(3)18-16-19-27(32)28-21-20-26(34-28)22-23-33-36(10,11)30(4,5)6/h16,18-19,26-29,32H,2,14-15,17,20-23H2,1,3-13H3/b19-16+,25-18+/t26-,27-,28-,29+/m1/s1
InChIKeyHRTHHQCELQCTHR-SXIRIBHMSA-N
MW552.99 g/mol
LogP8.95
Rot. Bonds14

About (1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol

(1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol (PubChem CID 51051385) has the molecular formula C31H60O4Si2 and a molecular weight of 552.99 g/mol. Its IUPAC name is (1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol.

Molecular Properties

Compound Name(1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol
PubChem CID51051385
Molecular FormulaC31H60O4Si2
Molecular Weight552.99 g/mol
Exact Mass552.40
IUPAC Name(1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol
SMILESC=C(CCCC)[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C=C/[C@@H](O)[C@H]1CC[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C31H60O4Si2/c1-14-15-17-24(2)29(35-37(12,13)31(7,8)9)25(3)18-16-19-27(32)28-21-20-26(34-28)22-23-33-36(10,11)30(4,5)6/h16,18-19,26-29,32H,2,14-15,17,20-23H2,1,3-13H3/b19-16+,25-18+/t26-,27-,28-,29+/m1/s1
InChIKeyHRTHHQCELQCTHR-SXIRIBHMSA-N
XLogP8.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.99
LogP ≤ 58.95
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 (1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol with MolForge

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Related Compounds

Chaetominin B
CID 146682830
[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]methanol
CID 138963584
(1R)-1-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 158362038
(3S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol
CID 173756638
3-[(1E,3Z)-6-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]cycloocta-1,3,5,7-tetraen-1-yl]prop-2-yn-1-ol
CID 173884372
[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxycyclohexen-1-yl]methanol
CID 177966094
(2R,3R,5R)-5-[(1S,3E)-1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-3-hexen-1-yl]tetrahydro-2-[(2E)-5-(trimethylsilyl)-2-penten-4-yn-1-yl]-3-furanol
CID 10928262
(1S,4S)-1-[(2S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]oxolan-2-yl]-4-[(2S,5R,6S)-6-[(Z)-dec-1-enyl]-5-hydroxyoxan-2-yl]butane-1,4-diol
CID 10962851
(E,6R)-6-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]hex-2-ene-1,6-diol
CID 10983566
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclopent-2-en-1-ol
CID 11091181
triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane
CID 11178541
(1R)-1-[(1S,2R,5R,6R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-3-methylbut-2-en-1-ol
CID 11212854

Frequently Asked Questions

What is the IUPAC name of (1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol?
The IUPAC name of (1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol (CID 51051385) is (1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol.
What is the SMILES notation for (1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol?
The canonical SMILES for (1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol is C=C(CCCC)[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C=C/[C@@H](O)[C@H]1CC[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol?
The InChIKey is HRTHHQCELQCTHR-SXIRIBHMSA-N. The full InChI is InChI=1S/C31H60O4Si2/c1-14-15-17-24(2)29(35-37(12,13)31(7,8)9)25(3)18-16-19-27(32)28-21-20-26(34-28)22-23-33-36(10,11)30(4,5)6/h16,18-19,26-29,32H,2,14-15,17,20-23H2,1,3-13H3/b19-16+,25-18+/t26-,27-,28-,29+/m1/s1.
What are the key properties of (1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol?
(1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol has a molecular weight of 552.99 g/mol, XLogP of 8.95, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]-5-methyl-7-methylideneundeca-2,4-dien-1-ol is sourced from PubChem (CID 51051385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).