(2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile

C11H17N — CID 89307025

IUPAC(2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile
SMILESC=CC[C@@](C)(C#N)CC=C(C)C
InChIInChI=1S/C11H17N/c1-5-7-11(4,9-12)8-6-10(2)3/h5-6H,1,7-8H2,2-4H3/t11-/m1/s1
InChIKeyOMTLZDFTQVIAHO-LLVKDONJSA-N
MW163.26 g/mol
LogP3.45
Rot. Bonds4

About (2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile

(2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile (PubChem CID 89307025) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile.

Molecular Properties

Compound Name(2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile
PubChem CID89307025
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile
SMILESC=CC[C@@](C)(C#N)CC=C(C)C
InChIInChI=1S/C11H17N/c1-5-7-11(4,9-12)8-6-10(2)3/h5-6H,1,7-8H2,2-4H3/t11-/m1/s1
InChIKeyOMTLZDFTQVIAHO-LLVKDONJSA-N
XLogP3.45
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.45
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 (2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile?
The IUPAC name of (2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile (CID 89307025) is (2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile.
What is the SMILES notation for (2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile?
The canonical SMILES for (2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile is C=CC[C@@](C)(C#N)CC=C(C)C.
What is the InChIKey of (2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile?
The InChIKey is OMTLZDFTQVIAHO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17N/c1-5-7-11(4,9-12)8-6-10(2)3/h5-6H,1,7-8H2,2-4H3/t11-/m1/s1.
What are the key properties of (2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile?
(2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile has a molecular weight of 163.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile is sourced from PubChem (CID 89307025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).