(1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde

C35H62O6Si3 — CID 11136101

IUPAC(1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde
SMILESC#CC[C@](C#C[C@]1(O[Si](C)(C)C(C)(C)C)C=CC[C@@]1(C=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C35H62O6Si3/c1-19-21-33(28-26-37-32(11,12)38-28,39-42(13,14)29(2,3)4)24-25-34(40-43(15,16)30(5,6)7)22-20-23-35(34,27-36)41-44(17,18)31(8,9)10/h1,20,22,27-28H,21,23,26H2,2-18H3/t28-,33-,34-,35+/m1/s1
InChIKeyVXTYKBOCQGHDQO-WNANERLGSA-N
MW663.13 g/mol
LogP8.61
Rot. Bonds9

About (1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde

(1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde (PubChem CID 11136101) has the molecular formula C35H62O6Si3 and a molecular weight of 663.13 g/mol. Its IUPAC name is (1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde
PubChem CID11136101
Molecular FormulaC35H62O6Si3
Molecular Weight663.13 g/mol
Exact Mass662.39
IUPAC Name(1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde
SMILESC#CC[C@](C#C[C@]1(O[Si](C)(C)C(C)(C)C)C=CC[C@@]1(C=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C35H62O6Si3/c1-19-21-33(28-26-37-32(11,12)38-28,39-42(13,14)29(2,3)4)24-25-34(40-43(15,16)30(5,6)7)22-20-23-35(34,27-36)41-44(17,18)31(8,9)10/h1,20,22,27-28H,21,23,26H2,2-18H3/t28-,33-,34-,35+/m1/s1
InChIKeyVXTYKBOCQGHDQO-WNANERLGSA-N
XLogP8.61
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.13
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde with MolForge

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Related Compounds

(1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-2-ene-1-carbaldehyde
CID 10897650
(2R)-4-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5-prop-2-ynyl-5-triethylsilyloxycyclopenten-1-yl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxybut-3-ynal
CID 10865545
methyl (1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-triethylsilyl-3-triethylsilyloxyhexa-1,5-diynyl]-2-hydroxycyclopent-3-ene-1-carboxylate
CID 10974478
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(3S,5R)-5-prop-2-ynyl-3,5-bis(triethylsilyloxy)cyclopenten-1-yl]-2-triethylsilyloxybut-3-ynal
CID 11239262
methyl (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-triethylsilyl-3-triethylsilyloxyhexa-1,5-diynyl]-2-hydroxycyclopent-3-ene-1-carboxylate
CID 11767647
(1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](213C)hexa-1,5-diynyl]cyclopent-2-ene-1-carbaldehyde
CID 101216901
(1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](513C)hexa-1,5-diynyl]cyclopent-2-ene-1-carbaldehyde
CID 101216902

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde?
The IUPAC name of (1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde (CID 11136101) is (1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde.
What is the SMILES notation for (1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde?
The canonical SMILES for (1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde is C#CC[C@](C#C[C@]1(O[Si](C)(C)C(C)(C)C)C=CC[C@@]1(C=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde?
The InChIKey is VXTYKBOCQGHDQO-WNANERLGSA-N. The full InChI is InChI=1S/C35H62O6Si3/c1-19-21-33(28-26-37-32(11,12)38-28,39-42(13,14)29(2,3)4)24-25-34(40-43(15,16)30(5,6)7)22-20-23-35(34,27-36)41-44(17,18)31(8,9)10/h1,20,22,27-28H,21,23,26H2,2-18H3/t28-,33-,34-,35+/m1/s1.
What are the key properties of (1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde?
(1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde has a molecular weight of 663.13 g/mol, XLogP of 8.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diynyl]cyclopent-3-ene-1-carbaldehyde is sourced from PubChem (CID 11136101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).