cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one

C27H50O3Si2 — CID 67746988

IUPACcis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one
SMILESC=C1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=CCC1(O[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C27H50O3Si2/c1-21-22(24(20-23(21)28)29-31(8,9)25(2,3)4)16-15-19-27(17-13-12-14-18-27)30-32(10,11)26(5,6)7/h15-16,22,24H,1,12-14,17-20H2,2-11H3/t22-,24-/m1/s1
InChIKeyDZCSEJQEPDVWSF-ISKFKSNPSA-N
MW478.87 g/mol
LogP8.19
Rot. Bonds7

About cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one

cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one (PubChem CID 67746988) has the molecular formula C27H50O3Si2 and a molecular weight of 478.87 g/mol. Its IUPAC name is cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one.

Molecular Properties

Compound Namecis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one
PubChem CID67746988
Molecular FormulaC27H50O3Si2
Molecular Weight478.87 g/mol
Exact Mass478.33
IUPAC Namecis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one
SMILESC=C1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=CCC1(O[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C27H50O3Si2/c1-21-22(24(20-23(21)28)29-31(8,9)25(2,3)4)16-15-19-27(17-13-12-14-18-27)30-32(10,11)26(5,6)7/h15-16,22,24H,1,12-14,17-20H2,2-11H3/t22-,24-/m1/s1
InChIKeyDZCSEJQEPDVWSF-ISKFKSNPSA-N
XLogP8.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.87
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-2-methylidenecyclopentan-1-one
CID 57291931
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-1-ynyl]-2-methylidenecyclopentan-1-one
CID 22873861
(R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 172726101
(4S,6S,7aS)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3-trimethylsilyl-4,5,7,7a-tetrahydro-1H-inden-2-one
CID 101112145
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305445
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
CID 171844194
2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde
CID 125449879
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one
CID 11780641
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305059
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609

Frequently Asked Questions

What is the IUPAC name of cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one?
The IUPAC name of cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one (CID 67746988) is cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one.
What is the SMILES notation for cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one?
The canonical SMILES for cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one is C=C1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=CCC1(O[Si](C)(C)C(C)(C)C)CCCCC1.
What is the InChIKey of cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one?
The InChIKey is DZCSEJQEPDVWSF-ISKFKSNPSA-N. The full InChI is InChI=1S/C27H50O3Si2/c1-21-22(24(20-23(21)28)29-31(8,9)25(2,3)4)16-15-19-27(17-13-12-14-18-27)30-32(10,11)26(5,6)7/h15-16,22,24H,1,12-14,17-20H2,2-11H3/t22-,24-/m1/s1.
What are the key properties of cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one?
cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one has a molecular weight of 478.87 g/mol, XLogP of 8.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one is sourced from PubChem (CID 67746988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).