[(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane

C22H44O2Si — CID 11417326

IUPAC[(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane
SMILESCCCCCC/C=C(/C[C@@H]1CC(COC)(COC)C[C@H]1C)[Si](C)(C)C
InChIInChI=1S/C22H44O2Si/c1-8-9-10-11-12-13-21(25(5,6)7)14-20-16-22(17-23-3,18-24-4)15-19(20)2/h13,19-20H,8-12,14-18H2,1-7H3/b21-13-/t19-,20-/m1/s1
InChIKeyNIQXLGFUWMRRRP-KWDXEGEASA-N
MW368.68 g/mol
LogP6.48
Rot. Bonds12

About [(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane

[(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane (PubChem CID 11417326) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is [(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane
PubChem CID11417326
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Name[(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane
SMILESCCCCCC/C=C(/C[C@@H]1CC(COC)(COC)C[C@H]1C)[Si](C)(C)C
InChIInChI=1S/C22H44O2Si/c1-8-9-10-11-12-13-21(25(5,6)7)14-20-16-22(17-23-3,18-24-4)15-19(20)2/h13,19-20H,8-12,14-18H2,1-7H3/b21-13-/t19-,20-/m1/s1
InChIKeyNIQXLGFUWMRRRP-KWDXEGEASA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
CID 14608166
[(1S,3aR,4R,5S,7aS)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-propan-2-yl-1,2,3,3a,4,5-hexahydroinden-4-yl]methoxy-tert-butyl-dimethylsilane
CID 135036073
tert-butyl-[2-[2-[(E)-2-ethoxyethenyl]-4-[(Z)-2-[3-[(E)-prop-1-enyl]cyclopentyl]ethenyl]cyclopentyl]ethoxy]-dimethylsilane
CID 140807584
[(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
CID 142714662
[2-[2-(2-Bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethyloxetan-3-yl]methoxy-diethylsilane
CID 173635368
[(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11022713
[(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane
CID 11753194
Tert-butyl[[(1S,2S,3S)-3-isopropyl-1-methyl-2-vinylcyclopentyl]methoxy]dimethylsilane
CID 99771680
trans-(3R,4R)-1,1-bis(methoxymethyl)-3-[(Z)-non-2-en-4-ynyl]-4-propylcyclopentane
CID 101436402
[(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane
CID 101467150
[(3aR,4R,5S,7aS)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-propan-2-yl-1,2,3,3a,4,5-hexahydroinden-4-yl]methoxy-tert-butyl-dimethylsilane
CID 101777853
tert-butyl-dimethyl-[(E,4R)-4-methyl-6-[(1S,2S,5R)-2-methyl-5-[(2S)-2-methyloxiran-2-yl]cyclopentyl]hex-5-enoxy]silane
CID 177545895

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane?
The IUPAC name of [(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane (CID 11417326) is [(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane.
What is the SMILES notation for [(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane?
The canonical SMILES for [(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane is CCCCCC/C=C(/C[C@@H]1CC(COC)(COC)C[C@H]1C)[Si](C)(C)C.
What is the InChIKey of [(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane?
The InChIKey is NIQXLGFUWMRRRP-KWDXEGEASA-N. The full InChI is InChI=1S/C22H44O2Si/c1-8-9-10-11-12-13-21(25(5,6)7)14-20-16-22(17-23-3,18-24-4)15-19(20)2/h13,19-20H,8-12,14-18H2,1-7H3/b21-13-/t19-,20-/m1/s1.
What are the key properties of [(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane?
[(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane has a molecular weight of 368.68 g/mol, XLogP of 6.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane is sourced from PubChem (CID 11417326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).