triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane

C26H44O3Si — CID 42603941

IUPACtriethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane
SMILESC=C1[C@]23O[C@H]2[C@@H](O[Si](CC)(CC)CC)[C@]2(C)CC/C=C(/C)CC[C@@]1(C)[C@H](C)C[C@H]3O2
InChIInChI=1S/C26H44O3Si/c1-9-30(10-2,11-3)29-22-23-26(28-23)20(6)24(7)16-14-18(4)13-12-15-25(22,8)27-21(26)17-19(24)5/h13,19,21-23H,6,9-12,14-17H2,1-5,7-8H3/b18-13-/t19-,21-,22-,23+,24+,25+,26-/m1/s1
InChIKeyAOJYZYGTIRCORB-NBNBOZOASA-N
MW432.72 g/mol
LogP6.79
Rot. Bonds5

About triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane

triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane (PubChem CID 42603941) has the molecular formula C26H44O3Si and a molecular weight of 432.72 g/mol. Its IUPAC name is triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane
PubChem CID42603941
Molecular FormulaC26H44O3Si
Molecular Weight432.72 g/mol
Exact Mass432.31
IUPAC Nametriethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane
SMILESC=C1[C@]23O[C@H]2[C@@H](O[Si](CC)(CC)CC)[C@]2(C)CC/C=C(/C)CC[C@@]1(C)[C@H](C)C[C@H]3O2
InChIInChI=1S/C26H44O3Si/c1-9-30(10-2,11-3)29-22-23-26(28-23)20(6)24(7)16-14-18(4)13-12-15-25(22,8)27-21(26)17-19(24)5/h13,19,21-23H,6,9-12,14-17H2,1-5,7-8H3/b18-13-/t19-,21-,22-,23+,24+,25+,26-/m1/s1
InChIKeyAOJYZYGTIRCORB-NBNBOZOASA-N
XLogP6.79
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.72
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane with MolForge

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Related Compounds

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CID 95224745
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CID 95224744
(1S,6S,8R,15R)-3,8,12-trimethyl-16-methylidene-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11-dien-15-ol
CID 162869434
(4S,5R,7R,10Z,14S,15R)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol
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(1R,3S,5S,8E,12S,13S)-1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-ene
CID 51040053
(1S,3S,5S,8E,12R,13S)-1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-ene
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(1R,3R,5S,6E,10E,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol
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Frequently Asked Questions

What is the IUPAC name of triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane?
The IUPAC name of triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane (CID 42603941) is triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane?
The canonical SMILES for triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane is C=C1[C@]23O[C@H]2[C@@H](O[Si](CC)(CC)CC)[C@]2(C)CC/C=C(/C)CC[C@@]1(C)[C@H](C)C[C@H]3O2.
What is the InChIKey of triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane?
The InChIKey is AOJYZYGTIRCORB-NBNBOZOASA-N. The full InChI is InChI=1S/C26H44O3Si/c1-9-30(10-2,11-3)29-22-23-26(28-23)20(6)24(7)16-14-18(4)13-12-15-25(22,8)27-21(26)17-19(24)5/h13,19,21-23H,6,9-12,14-17H2,1-5,7-8H3/b18-13-/t19-,21-,22-,23+,24+,25+,26-/m1/s1.
What are the key properties of triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane?
triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane has a molecular weight of 432.72 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(1R,3R,4S,7E,11S,12R,13S,15R)-3,4,7,11-tetramethyl-17-methylidene-14,16-dioxatetracyclo[9.4.1.14,15.013,15]heptadec-7-en-12-yl]oxy]silane is sourced from PubChem (CID 42603941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).