[(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium

C21H38CrO4Si — CID 177398602

IUPAC[(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium
SMILESC=CC[C@H]1C(=[Cr])O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O4Si.Cr/c1-10-11-17-12-22-18-13-23-21(8,9)24-20(18)19(17)25-26(14(2)3,15(4)5)16(6)7;/h10,14-20H,1,11,13H2,2-9H3;/t17-,18+,19+,20+;/m0./s1
InChIKeyCJDJJBOKPQBVBI-PFGQKEBJSA-N
MW434.61 g/mol
LogP4.97
Rot. Bonds7

About [(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium

[(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium (PubChem CID 177398602) has the molecular formula C21H38CrO4Si and a molecular weight of 434.61 g/mol. Its IUPAC name is [(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium.

Molecular Properties

Compound Name[(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium
PubChem CID177398602
Molecular FormulaC21H38CrO4Si
Molecular Weight434.61 g/mol
Exact Mass434.19
IUPAC Name[(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium
SMILESC=CC[C@H]1C(=[Cr])O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O4Si.Cr/c1-10-11-17-12-22-18-13-23-21(8,9)24-20(18)19(17)25-26(14(2)3,15(4)5)16(6)7;/h10,14-20H,1,11,13H2,2-9H3;/t17-,18+,19+,20+;/m0./s1
InChIKeyCJDJJBOKPQBVBI-PFGQKEBJSA-N
XLogP4.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium?
The IUPAC name of [(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium (CID 177398602) is [(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium.
What is the SMILES notation for [(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium?
The canonical SMILES for [(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium is C=CC[C@H]1C(=[Cr])O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium?
The InChIKey is CJDJJBOKPQBVBI-PFGQKEBJSA-N. The full InChI is InChI=1S/C21H38O4Si.Cr/c1-10-11-17-12-22-18-13-23-21(8,9)24-20(18)19(17)25-26(14(2)3,15(4)5)16(6)7;/h10,14-20H,1,11,13H2,2-9H3;/t17-,18+,19+,20+;/m0./s1.
What are the key properties of [(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium?
[(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium has a molecular weight of 434.61 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium is sourced from PubChem (CID 177398602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).