(1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline

C20H34Si2 — CID 102166744

IUPAC(1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline
SMILESCCCCC1=C[Si@@](C)(C(C)C)c2ccccc2[Si@@]1(C)C(C)C
InChIInChI=1S/C20H34Si2/c1-8-9-12-18-15-21(6,16(2)3)19-13-10-11-14-20(19)22(18,7)17(4)5/h10-11,13-17H,8-9,12H2,1-7H3/t21-,22-/m0/s1
InChIKeyKOVJCQOVYNQWNT-VXKWHMMOSA-N
MW330.66 g/mol
LogP5.29
Rot. Bonds5

About (1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline

(1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline (PubChem CID 102166744) has the molecular formula C20H34Si2 and a molecular weight of 330.66 g/mol. Its IUPAC name is (1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline.

Molecular Properties

Compound Name(1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline
PubChem CID102166744
Molecular FormulaC20H34Si2
Molecular Weight330.66 g/mol
Exact Mass330.22
IUPAC Name(1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline
SMILESCCCCC1=C[Si@@](C)(C(C)C)c2ccccc2[Si@@]1(C)C(C)C
InChIInChI=1S/C20H34Si2/c1-8-9-12-18-15-21(6,16(2)3)19-13-10-11-14-20(19)22(18,7)17(4)5/h10-11,13-17H,8-9,12H2,1-7H3/t21-,22-/m0/s1
InChIKeyKOVJCQOVYNQWNT-VXKWHMMOSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.66
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline?
The IUPAC name of (1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline (CID 102166744) is (1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline.
What is the SMILES notation for (1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline?
The canonical SMILES for (1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline is CCCCC1=C[Si@@](C)(C(C)C)c2ccccc2[Si@@]1(C)C(C)C.
What is the InChIKey of (1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline?
The InChIKey is KOVJCQOVYNQWNT-VXKWHMMOSA-N. The full InChI is InChI=1S/C20H34Si2/c1-8-9-12-18-15-21(6,16(2)3)19-13-10-11-14-20(19)22(18,7)17(4)5/h10-11,13-17H,8-9,12H2,1-7H3/t21-,22-/m0/s1.
What are the key properties of (1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline?
(1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline has a molecular weight of 330.66 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-3-butyl-1,4-dimethyl-1,4-di(propan-2-yl)-1,4-benzodisiline is sourced from PubChem (CID 102166744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).