(Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile

C19H35N — CID 174115735

IUPAC(Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile
SMILESCC(C/C=C\CC(C)(C)C)C(C)CC(C#N)C(C)(C)C
InChIInChI=1S/C19H35N/c1-15(11-9-10-12-18(3,4)5)16(2)13-17(14-20)19(6,7)8/h9-10,15-17H,11-13H2,1-8H3/b10-9-
InChIKeyVFCKSKHSUPKNEN-KTKRTIGZSA-N
MW277.50 g/mol
LogP6.22
Rot. Bonds6

About (Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile

(Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile (PubChem CID 174115735) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is (Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile.

Molecular Properties

Compound Name(Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile
PubChem CID174115735
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name(Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile
SMILESCC(C/C=C\CC(C)(C)C)C(C)CC(C#N)C(C)(C)C
InChIInChI=1S/C19H35N/c1-15(11-9-10-12-18(3,4)5)16(2)13-17(14-20)19(6,7)8/h9-10,15-17H,11-13H2,1-8H3/b10-9-
InChIKeyVFCKSKHSUPKNEN-KTKRTIGZSA-N
XLogP6.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile?
The IUPAC name of (Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile (CID 174115735) is (Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile.
What is the SMILES notation for (Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile?
The canonical SMILES for (Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile is CC(C/C=C\CC(C)(C)C)C(C)CC(C#N)C(C)(C)C.
What is the InChIKey of (Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile?
The InChIKey is VFCKSKHSUPKNEN-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H35N/c1-15(11-9-10-12-18(3,4)5)16(2)13-17(14-20)19(6,7)8/h9-10,15-17H,11-13H2,1-8H3/b10-9-.
What are the key properties of (Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile?
(Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile has a molecular weight of 277.50 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tert-butyl-4,5,10,10-tetramethylundec-7-enenitrile is sourced from PubChem (CID 174115735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).