[2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane

C21H36OSi — CID 10616607

IUPAC[2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
SMILESCC1(C)C=C[C@@]2(CCC[C@H]2C(C[Si](C)(C)C)=C2CCCCC2)O1
InChIInChI=1S/C21H36OSi/c1-20(2)14-15-21(22-20)13-9-12-19(21)18(16-23(3,4)5)17-10-7-6-8-11-17/h14-15,19H,6-13,16H2,1-5H3/t19-,21+/m0/s1
InChIKeyFDLDXCYQGJRDKW-PZJWPPBQSA-N
MW332.60 g/mol
LogP6.49
Rot. Bonds3

About [2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane

[2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane (PubChem CID 10616607) has the molecular formula C21H36OSi and a molecular weight of 332.60 g/mol. Its IUPAC name is [2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane.

Molecular Properties

Compound Name[2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
PubChem CID10616607
Molecular FormulaC21H36OSi
Molecular Weight332.60 g/mol
Exact Mass332.25
IUPAC Name[2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
SMILESCC1(C)C=C[C@@]2(CCC[C@H]2C(C[Si](C)(C)C)=C2CCCCC2)O1
InChIInChI=1S/C21H36OSi/c1-20(2)14-15-21(22-20)13-9-12-19(21)18(16-23(3,4)5)17-10-7-6-8-11-17/h14-15,19H,6-13,16H2,1-5H3/t19-,21+/m0/s1
InChIKeyFDLDXCYQGJRDKW-PZJWPPBQSA-N
XLogP6.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 56.49
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'}

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Related Compounds

[2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane
CID 10017243
[2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
CID 10711669
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
CID 12111605
tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
CID 101270902

Frequently Asked Questions

What is the IUPAC name of [2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane?
The IUPAC name of [2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane (CID 10616607) is [2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane.
What is the SMILES notation for [2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane?
The canonical SMILES for [2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane is CC1(C)C=C[C@@]2(CCC[C@H]2C(C[Si](C)(C)C)=C2CCCCC2)O1.
What is the InChIKey of [2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane?
The InChIKey is FDLDXCYQGJRDKW-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H36OSi/c1-20(2)14-15-21(22-20)13-9-12-19(21)18(16-23(3,4)5)17-10-7-6-8-11-17/h14-15,19H,6-13,16H2,1-5H3/t19-,21+/m0/s1.
What are the key properties of [2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane?
[2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane has a molecular weight of 332.60 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane is sourced from PubChem (CID 10616607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).