triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane

C25H42O3Si — CID 101482421

IUPACtriethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane
SMILESC=C1[C@@H]2CC3(CC[C@H]2/C(C)=C\C[C@H]2CCC[C@]12O[Si](CC)(CC)CC)OCCO3
InChIInChI=1S/C25H42O3Si/c1-6-29(7-2,8-3)28-25-14-9-10-21(25)12-11-19(4)22-13-15-24(26-16-17-27-24)18-23(22)20(25)5/h11,21-23H,5-10,12-18H2,1-4H3/b19-11-/t21-,22+,23+,25+/m1/s1
InChIKeyMWJRFJOCWVHDIM-ODCOHACOSA-N
MW418.69 g/mol
LogP6.61
Rot. Bonds5

About triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane

triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane (PubChem CID 101482421) has the molecular formula C25H42O3Si and a molecular weight of 418.69 g/mol. Its IUPAC name is triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane
PubChem CID101482421
Molecular FormulaC25H42O3Si
Molecular Weight418.69 g/mol
Exact Mass418.29
IUPAC Nametriethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane
SMILESC=C1[C@@H]2CC3(CC[C@H]2/C(C)=C\C[C@H]2CCC[C@]12O[Si](CC)(CC)CC)OCCO3
InChIInChI=1S/C25H42O3Si/c1-6-29(7-2,8-3)28-25-14-9-10-21(25)12-11-19(4)22-13-15-24(26-16-17-27-24)18-23(22)20(25)5/h11,21-23H,5-10,12-18H2,1-4H3/b19-11-/t21-,22+,23+,25+/m1/s1
InChIKeyMWJRFJOCWVHDIM-ODCOHACOSA-N
XLogP6.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.69
LogP ≤ 56.61
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'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane?
The IUPAC name of triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane (CID 101482421) is triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane.
What is the SMILES notation for triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane?
The canonical SMILES for triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane is C=C1[C@@H]2CC3(CC[C@H]2/C(C)=C\C[C@H]2CCC[C@]12O[Si](CC)(CC)CC)OCCO3.
What is the InChIKey of triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane?
The InChIKey is MWJRFJOCWVHDIM-ODCOHACOSA-N. The full InChI is InChI=1S/C25H42O3Si/c1-6-29(7-2,8-3)28-25-14-9-10-21(25)12-11-19(4)22-13-15-24(26-16-17-27-24)18-23(22)20(25)5/h11,21-23H,5-10,12-18H2,1-4H3/b19-11-/t21-,22+,23+,25+/m1/s1.
What are the key properties of triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane?
triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane has a molecular weight of 418.69 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1'R,3'R,7'R,9'Z,11'R)-10'-methyl-2'-methylidenespiro[1,3-dioxolane-2,14'-tricyclo[9.4.0.03,7]pentadec-9-ene]-3'-yl]oxysilane is sourced from PubChem (CID 101482421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).