[4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate

C29H50O4Si — CID 101394301

IUPAC[4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate
SMILESC=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#CC)(CCC=C(C)C)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C29H50O4Si/c1-11-20-29(21-16-17-24(6)7,33-34(30-13-3,31-14-4)32-15-5)23-22-28(10)26(12-2)18-19-27(28)25(8)9/h12,17-18,25,27H,2,13-16,19,21-23H2,1,3-10H3/t27-,28+,29?/m1/s1
InChIKeyGZNBODACMAQMEK-PEIRWHMSSA-N
MW490.80 g/mol
LogP7.63
Rot. Bonds16

About [4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate

[4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate (PubChem CID 101394301) has the molecular formula C29H50O4Si and a molecular weight of 490.80 g/mol. Its IUPAC name is [4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate.

Molecular Properties

Compound Name[4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate
PubChem CID101394301
Molecular FormulaC29H50O4Si
Molecular Weight490.80 g/mol
Exact Mass490.35
IUPAC Name[4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate
SMILESC=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#CC)(CCC=C(C)C)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C29H50O4Si/c1-11-20-29(21-16-17-24(6)7,33-34(30-13-3,31-14-4)32-15-5)23-22-28(10)26(12-2)18-19-27(28)25(8)9/h12,17-18,25,27H,2,13-16,19,21-23H2,1,3-10H3/t27-,28+,29?/m1/s1
InChIKeyGZNBODACMAQMEK-PEIRWHMSSA-N
XLogP7.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.80
LogP ≤ 57.63
H-Bond Donors ≤ 50
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate?
The IUPAC name of [4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate (CID 101394301) is [4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate.
What is the SMILES notation for [4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate?
The canonical SMILES for [4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate is C=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#CC)(CCC=C(C)C)O[Si](OCC)(OCC)OCC.
What is the InChIKey of [4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate?
The InChIKey is GZNBODACMAQMEK-PEIRWHMSSA-N. The full InChI is InChI=1S/C29H50O4Si/c1-11-20-29(21-16-17-24(6)7,33-34(30-13-3,31-14-4)32-15-5)23-22-28(10)26(12-2)18-19-27(28)25(8)9/h12,17-18,25,27H,2,13-16,19,21-23H2,1,3-10H3/t27-,28+,29?/m1/s1.
What are the key properties of [4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate?
[4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate has a molecular weight of 490.80 g/mol, XLogP of 7.63, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate is sourced from PubChem (CID 101394301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).