[(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane

C32H57BrO2Si — CID 67654011

IUPAC[(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane
SMILESCc1c(C)c(O[Si](C)(C)C)c(CBr)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
InChIInChI=1S/C32H57BrO2Si/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-20-32(7)21-19-28-29(22-33)31(35-36(8,9)10)27(6)26(5)30(28)34-32/h23-25H,11-22H2,1-10H3/t24-,25-,32-/m1/s1
InChIKeySCEVHHJNKBIBIP-NCLPYWGKSA-N
MW581.80 g/mol
LogP10.93
Rot. Bonds15

About [(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane

[(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane (PubChem CID 67654011) has the molecular formula C32H57BrO2Si and a molecular weight of 581.80 g/mol. Its IUPAC name is [(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane
PubChem CID67654011
Molecular FormulaC32H57BrO2Si
Molecular Weight581.80 g/mol
Exact Mass580.33
IUPAC Name[(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane
SMILESCc1c(C)c(O[Si](C)(C)C)c(CBr)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
InChIInChI=1S/C32H57BrO2Si/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-20-32(7)21-19-28-29(22-33)31(35-36(8,9)10)27(6)26(5)30(28)34-32/h23-25H,11-22H2,1-10H3/t24-,25-,32-/m1/s1
InChIKeySCEVHHJNKBIBIP-NCLPYWGKSA-N
XLogP10.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.80
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane?
The IUPAC name of [(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane (CID 67654011) is [(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane is Cc1c(C)c(O[Si](C)(C)C)c(CBr)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2.
What is the InChIKey of [(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane?
The InChIKey is SCEVHHJNKBIBIP-NCLPYWGKSA-N. The full InChI is InChI=1S/C32H57BrO2Si/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-20-32(7)21-19-28-29(22-33)31(35-36(8,9)10)27(6)26(5)30(28)34-32/h23-25H,11-22H2,1-10H3/t24-,25-,32-/m1/s1.
What are the key properties of [(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane?
[(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane has a molecular weight of 581.80 g/mol, XLogP of 10.93, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-(bromomethyl)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy-trimethylsilane is sourced from PubChem (CID 67654011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).