[(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane

C42H80O2Si2 — CID 162290065

IUPAC[(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane
SMILESCCCC/C=C\C[C@@H]1[C@@H](C=CC(C)C)[C@H](C)C[C@@H]1O[Si](C)(C)C.CCCC/C=C\C[C@@H]1[C@@H](C=CC(C)C)[C@H](O[Si](C)(C)C)C[C@@H]1C
InChIInChI=1S/2C21H40OSi/c1-8-9-10-11-12-13-20-19(15-14-17(2)3)18(4)16-21(20)22-23(5,6)7;1-8-9-10-11-12-13-19-18(4)16-21(22-23(5,6)7)20(19)15-14-17(2)3/h2*11-12,14-15,17-21H,8-10,13,16H2,1-7H3/b2*12-11-,15-14?/t18-,19+,20-,21+;18-,19-,20+,21+/m10/s1
InChIKeyHZRRPILVKHOBNI-TXMSOLCUSA-N
MW673.27 g/mol
LogP13.65
Rot. Bonds18

About [(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane

[(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane (PubChem CID 162290065) has the molecular formula C42H80O2Si2 and a molecular weight of 673.27 g/mol. Its IUPAC name is [(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane
PubChem CID162290065
Molecular FormulaC42H80O2Si2
Molecular Weight673.27 g/mol
Exact Mass672.57
IUPAC Name[(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane
SMILESCCCC/C=C\C[C@@H]1[C@@H](C=CC(C)C)[C@H](C)C[C@@H]1O[Si](C)(C)C.CCCC/C=C\C[C@@H]1[C@@H](C=CC(C)C)[C@H](O[Si](C)(C)C)C[C@@H]1C
InChIInChI=1S/2C21H40OSi/c1-8-9-10-11-12-13-20-19(15-14-17(2)3)18(4)16-21(20)22-23(5,6)7;1-8-9-10-11-12-13-19-18(4)16-21(22-23(5,6)7)20(19)15-14-17(2)3/h2*11-12,14-15,17-21H,8-10,13,16H2,1-7H3/b2*12-11-,15-14?/t18-,19+,20-,21+;18-,19-,20+,21+/m10/s1
InChIKeyHZRRPILVKHOBNI-TXMSOLCUSA-N
XLogP13.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.27
LogP ≤ 513.65
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane with MolForge

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Related Compounds

4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane
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tert-butyl-[(E,3S,5S)-1-[2-[tert-butyl(dimethyl)silyl]oxy-6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]-5-methylnon-1-en-3-yl]oxy-dimethylsilane
CID 151650976
Silane, [[4-(3-methyl-2-butenyl)-5-(8-methyl-7-nonenyl)-1,3-cyclopentanediyl]bis(oxy)]bis[trimethyl-
CID 628619
2-Ethyl-3,5-bis(trimethylsilyloxy)-1-[(3-trimethylsilyloxy)-1-propenyl]cyclopentane
CID 5374905
[(5E)-5-[(3aS,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentoxy]-tert-butyl-dimethylsilane
CID 11664759
[(2R,3S,3aS,6aS)-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-pent-4-enyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 18609003
Tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane
CID 19836131
[(3aS,4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-triethylsilane
CID 22850344
5-[(3aS,5R,6S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentan-1-ol
CID 54312536
[(2R,3S,3aR,6aR)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-pent-4-enyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 54320892
[(2R,3S,3aS,6aS)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-pent-4-enyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 54320893
[6a-[4-[butyl(dimethyl)silyl]oxy-4-methyloct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 57031779

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane?
The IUPAC name of [(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane (CID 162290065) is [(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane is CCCC/C=C\C[C@@H]1[C@@H](C=CC(C)C)[C@H](C)C[C@@H]1O[Si](C)(C)C.CCCC/C=C\C[C@@H]1[C@@H](C=CC(C)C)[C@H](O[Si](C)(C)C)C[C@@H]1C.
What is the InChIKey of [(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane?
The InChIKey is HZRRPILVKHOBNI-TXMSOLCUSA-N. The full InChI is InChI=1S/2C21H40OSi/c1-8-9-10-11-12-13-20-19(15-14-17(2)3)18(4)16-21(20)22-23(5,6)7;1-8-9-10-11-12-13-19-18(4)16-21(22-23(5,6)7)20(19)15-14-17(2)3/h2*11-12,14-15,17-21H,8-10,13,16H2,1-7H3/b2*12-11-,15-14?/t18-,19+,20-,21+;18-,19-,20+,21+/m10/s1.
What are the key properties of [(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane?
[(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane has a molecular weight of 673.27 g/mol, XLogP of 13.65, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane;[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbut-1-enyl)cyclopentyl]oxy-trimethylsilane is sourced from PubChem (CID 162290065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).