trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane

C19H32OSi — CID 11077588

IUPACtrimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane
SMILESCC/C=C\C[C@@H]1CC2(CCCCC2)O[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C19H32OSi/c1-5-6-8-11-17-16-19(13-9-7-10-14-19)20-18(17)12-15-21(2,3)4/h6,8,17-18H,5,7,9-11,13-14,16H2,1-4H3/b8-6-/t17-,18-/m1/s1
InChIKeyCHAXNOAACQUHBC-OFLQAFCJSA-N
MW304.55 g/mol
LogP5.33
Rot. Bonds3

About trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane

trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane (PubChem CID 11077588) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane
PubChem CID11077588
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Nametrimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane
SMILESCC/C=C\C[C@@H]1CC2(CCCCC2)O[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C19H32OSi/c1-5-6-8-11-17-16-19(13-9-7-10-14-19)20-18(17)12-15-21(2,3)4/h6,8,17-18H,5,7,9-11,13-14,16H2,1-4H3/b8-6-/t17-,18-/m1/s1
InChIKeyCHAXNOAACQUHBC-OFLQAFCJSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane (CID 11077588) is trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane is CC/C=C\C[C@@H]1CC2(CCCCC2)O[C@@H]1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane?
The InChIKey is CHAXNOAACQUHBC-OFLQAFCJSA-N. The full InChI is InChI=1S/C19H32OSi/c1-5-6-8-11-17-16-19(13-9-7-10-14-19)20-18(17)12-15-21(2,3)4/h6,8,17-18H,5,7,9-11,13-14,16H2,1-4H3/b8-6-/t17-,18-/m1/s1.
What are the key properties of trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane?
trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane has a molecular weight of 304.55 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2S,3R)-3-[(Z)-pent-2-enyl]-1-oxaspiro[4.5]decan-2-yl]ethynyl]silane is sourced from PubChem (CID 11077588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).