[(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane

C33H66O2Si2 — CID 11753194

IUPAC[(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane
SMILESCCCCCC/C=C(/C[C@@H]1CC(COC)(COC)C[C@H]1C/C(=C/CCCCCC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C33H66O2Si2/c1-11-13-15-17-19-21-31(36(5,6)7)23-29-25-33(27-34-3,28-35-4)26-30(29)24-32(37(8,9)10)22-20-18-16-14-12-2/h21-22,29-30H,11-20,23-28H2,1-10H3/b31-21-,32-22-/t29-,30-/m1/s1
InChIKeyMVZQQHDJSDYDKC-HAGYIRHJSA-N
MW551.06 g/mol
LogP10.62
Rot. Bonds20

About [(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane

[(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane (PubChem CID 11753194) has the molecular formula C33H66O2Si2 and a molecular weight of 551.06 g/mol. Its IUPAC name is [(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane
PubChem CID11753194
Molecular FormulaC33H66O2Si2
Molecular Weight551.06 g/mol
Exact Mass550.46
IUPAC Name[(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane
SMILESCCCCCC/C=C(/C[C@@H]1CC(COC)(COC)C[C@H]1C/C(=C/CCCCCC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C33H66O2Si2/c1-11-13-15-17-19-21-31(36(5,6)7)23-29-25-33(27-34-3,28-35-4)26-30(29)24-32(37(8,9)10)22-20-18-16-14-12-2/h21-22,29-30H,11-20,23-28H2,1-10H3/b31-21-,32-22-/t29-,30-/m1/s1
InChIKeyMVZQQHDJSDYDKC-HAGYIRHJSA-N
XLogP10.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.06
LogP ≤ 510.62
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

[(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
[(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane
CID 11417326
tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane
CID 24756281
[(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

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane?
The IUPAC name of [(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane (CID 11753194) is [(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane.
What is the SMILES notation for [(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane?
The canonical SMILES for [(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane is CCCCCC/C=C(/C[C@@H]1CC(COC)(COC)C[C@H]1C/C(=C/CCCCCC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane?
The InChIKey is MVZQQHDJSDYDKC-HAGYIRHJSA-N. The full InChI is InChI=1S/C33H66O2Si2/c1-11-13-15-17-19-21-31(36(5,6)7)23-29-25-33(27-34-3,28-35-4)26-30(29)24-32(37(8,9)10)22-20-18-16-14-12-2/h21-22,29-30H,11-20,23-28H2,1-10H3/b31-21-,32-22-/t29-,30-/m1/s1.
What are the key properties of [(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane?
[(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane has a molecular weight of 551.06 g/mol, XLogP of 10.62, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(1S,2S)-4,4-bis(methoxymethyl)-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopentyl]non-2-en-2-yl]-trimethylsilane is sourced from PubChem (CID 11753194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).