2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid

C19H36O2Si — CID 54441401

IUPAC2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid
SMILESCCCCC(=C1CCCC[C@@H]1CC(=O)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-7-8-13-17(22(5,6)19(2,3)4)16-12-10-9-11-15(16)14-18(20)21/h15H,7-14H2,1-6H3,(H,20,21)/t15-/m1/s1
InChIKeyWOJACQFBXQCCAE-OAHLLOKOSA-N
MW324.58 g/mol
LogP6.19
Rot. Bonds6

About 2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid

2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid (PubChem CID 54441401) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is 2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid
PubChem CID54441401
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid
SMILESCCCCC(=C1CCCC[C@@H]1CC(=O)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-7-8-13-17(22(5,6)19(2,3)4)16-12-10-9-11-15(16)14-18(20)21/h15H,7-14H2,1-6H3,(H,20,21)/t15-/m1/s1
InChIKeyWOJACQFBXQCCAE-OAHLLOKOSA-N
XLogP6.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid?
The IUPAC name of 2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid (CID 54441401) is 2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid?
The canonical SMILES for 2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid is CCCCC(=C1CCCC[C@@H]1CC(=O)O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid?
The InChIKey is WOJACQFBXQCCAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-7-8-13-17(22(5,6)19(2,3)4)16-12-10-9-11-15(16)14-18(20)21/h15H,7-14H2,1-6H3,(H,20,21)/t15-/m1/s1.
What are the key properties of 2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid?
2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid has a molecular weight of 324.58 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-[1-[tert-butyl(dimethyl)silyl]pentylidene]cyclohexyl]acetic acid is sourced from PubChem (CID 54441401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).