strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene

C23H37OSr- — CID 169128140

IUPACstrontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene
SMILES[CH2-]CC([CH2-])CCC([CH2-])c1cc(CC(C)C)cc(C(C)(C)C)c1OC.[Sr+2]
InChIInChI=1S/C23H37O.Sr/c1-10-17(4)11-12-18(5)20-14-19(13-16(2)3)15-21(22(20)24-9)23(6,7)8;/h14-18H,1,4-5,10-13H2,2-3,6-9H3;/q-3;+2
InChIKeyGGKZREWJFWPQER-UHFFFAOYSA-N
MW417.17 g/mol
LogP6.18
Rot. Bonds8

About strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene

strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene (PubChem CID 169128140) has the molecular formula C23H37OSr- and a molecular weight of 417.17 g/mol. Its IUPAC name is strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene.

Molecular Properties

Compound Namestrontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene
PubChem CID169128140
Molecular FormulaC23H37OSr-
Molecular Weight417.17 g/mol
Exact Mass417.19
IUPAC Namestrontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene
SMILES[CH2-]CC([CH2-])CCC([CH2-])c1cc(CC(C)C)cc(C(C)(C)C)c1OC.[Sr+2]
InChIInChI=1S/C23H37O.Sr/c1-10-17(4)11-12-18(5)20-14-19(13-16(2)3)15-21(22(20)24-9)23(6,7)8;/h14-18H,1,4-5,10-13H2,2-3,6-9H3;/q-3;+2
InChIKeyGGKZREWJFWPQER-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.17
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene?
The IUPAC name of strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene (CID 169128140) is strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene.
What is the SMILES notation for strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene?
The canonical SMILES for strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene is [CH2-]CC([CH2-])CCC([CH2-])c1cc(CC(C)C)cc(C(C)(C)C)c1OC.[Sr+2].
What is the InChIKey of strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene?
The InChIKey is GGKZREWJFWPQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37O.Sr/c1-10-17(4)11-12-18(5)20-14-19(13-16(2)3)15-21(22(20)24-9)23(6,7)8;/h14-18H,1,4-5,10-13H2,2-3,6-9H3;/q-3;+2.
What are the key properties of strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene?
strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene has a molecular weight of 417.17 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for strontium 1-tert-butyl-3-(5-methanidylheptan-2-yl)-2-methoxy-5-(2-methylpropyl)benzene is sourced from PubChem (CID 169128140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).