[(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide

C31H51CrNO8Si2 — CID 11828535

IUPAC[(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide
SMILESCC(C)[Si](OC[C@H]1O/C(=C\C(N)=[Cr])C=C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C26H51NO3Si2.5CO.Cr/c1-18(2)31(19(3)4,20(5)6)28-17-26-25(14-13-24(29-26)15-16-27)30-32(21(7)8,22(9)10)23(11)12;5*1-2;/h13-15,18-23,25-26H,17,27H2,1-12H3;;;;;;/b24-15-;;;;;;/t25-,26+;;;;;;/m0....../s1
InChIKeyKASVEJDVASFFSM-DNIKZGCPSA-N
MW673.92 g/mol
LogP7.03
Rot. Bonds12

About [(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide

[(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide (PubChem CID 11828535) has the molecular formula C31H51CrNO8Si2 and a molecular weight of 673.92 g/mol. Its IUPAC name is [(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide.

Molecular Properties

Compound Name[(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide
PubChem CID11828535
Molecular FormulaC31H51CrNO8Si2
Molecular Weight673.92 g/mol
Exact Mass673.26
IUPAC Name[(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide
SMILESCC(C)[Si](OC[C@H]1O/C(=C\C(N)=[Cr])C=C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C26H51NO3Si2.5CO.Cr/c1-18(2)31(19(3)4,20(5)6)28-17-26-25(14-13-24(29-26)15-16-27)30-32(21(7)8,22(9)10)23(11)12;5*1-2;/h13-15,18-23,25-26H,17,27H2,1-12H3;;;;;;/b24-15-;;;;;;/t25-,26+;;;;;;/m0....../s1
InChIKeyKASVEJDVASFFSM-DNIKZGCPSA-N
XLogP7.03
TPSA153.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.92
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;[(2Z)-1-ethoxy-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium
CID 11093738
[(2Z)-1-ethoxy-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium
CID 11093739
[(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium
CID 11828536

Frequently Asked Questions

What is the IUPAC name of [(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide?
The IUPAC name of [(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide (CID 11828535) is [(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide.
What is the SMILES notation for [(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide?
The canonical SMILES for [(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide is CC(C)[Si](OC[C@H]1O/C(=C\C(N)=[Cr])C=C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of [(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide?
The InChIKey is KASVEJDVASFFSM-DNIKZGCPSA-N. The full InChI is InChI=1S/C26H51NO3Si2.5CO.Cr/c1-18(2)31(19(3)4,20(5)6)28-17-26-25(14-13-24(29-26)15-16-27)30-32(21(7)8,22(9)10)23(11)12;5*1-2;/h13-15,18-23,25-26H,17,27H2,1-12H3;;;;;;/b24-15-;;;;;;/t25-,26+;;;;;;/m0....../s1.
What are the key properties of [(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide?
[(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide has a molecular weight of 673.92 g/mol, XLogP of 7.03, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-1-amino-2-[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]ethylidene]chromium;carbon monoxide is sourced from PubChem (CID 11828535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).