[2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane

C21H36OSi — CID 10711669

IUPAC[2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
SMILESC[C@@H]1C=C[C@]2(O1)[C@H](C)CC[C@H]2C(C[Si](C)(C)C)=C1CCCCC1
InChIInChI=1S/C21H36OSi/c1-16-11-12-20(21(16)14-13-17(2)22-21)19(15-23(3,4)5)18-9-7-6-8-10-18/h13-14,16-17,20H,6-12,15H2,1-5H3/t16-,17-,20+,21+/m1/s1
InChIKeyDPBHRYPSHJJZMR-JYWFKMLOSA-N
MW332.60 g/mol
LogP6.35
Rot. Bonds3

About [2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane

[2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane (PubChem CID 10711669) has the molecular formula C21H36OSi and a molecular weight of 332.60 g/mol. Its IUPAC name is [2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane.

Molecular Properties

Compound Name[2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
PubChem CID10711669
Molecular FormulaC21H36OSi
Molecular Weight332.60 g/mol
Exact Mass332.25
IUPAC Name[2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
SMILESC[C@@H]1C=C[C@]2(O1)[C@H](C)CC[C@H]2C(C[Si](C)(C)C)=C1CCCCC1
InChIInChI=1S/C21H36OSi/c1-16-11-12-20(21(16)14-13-17(2)22-21)19(15-23(3,4)5)18-9-7-6-8-10-18/h13-14,16-17,20H,6-12,15H2,1-5H3/t16-,17-,20+,21+/m1/s1
InChIKeyDPBHRYPSHJJZMR-JYWFKMLOSA-N
XLogP6.35
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 ≤ 56.35
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-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
CID 10616607
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
CID 12111605
[(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane
CID 101270899
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-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane?
The IUPAC name of [2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane (CID 10711669) is [2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane.
What is the SMILES notation for [2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane?
The canonical SMILES for [2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane is C[C@@H]1C=C[C@]2(O1)[C@H](C)CC[C@H]2C(C[Si](C)(C)C)=C1CCCCC1.
What is the InChIKey of [2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane?
The InChIKey is DPBHRYPSHJJZMR-JYWFKMLOSA-N. The full InChI is InChI=1S/C21H36OSi/c1-16-11-12-20(21(16)14-13-17(2)22-21)19(15-23(3,4)5)18-9-7-6-8-10-18/h13-14,16-17,20H,6-12,15H2,1-5H3/t16-,17-,20+,21+/m1/s1.
What are the key properties of [2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane?
[2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane has a molecular weight of 332.60 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane is sourced from PubChem (CID 10711669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).