(2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile

C19H23N — CID 121373932

IUPAC(2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile
SMILESCC(C)(C)C(=C\C#N)/C=C/c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H23N/c1-19(2,3)18(12-13-20)11-9-15-8-10-16-6-4-5-7-17(16)14-15/h8-12,14H,4-7H2,1-3H3/b11-9+,18-12-
InChIKeyCBGAAFFAJHLLPN-NEAXLJNESA-N
MW265.40 g/mol
LogP5.07
Rot. Bonds2

About (2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile

(2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile (PubChem CID 121373932) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile
PubChem CID121373932
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile
SMILESCC(C)(C)C(=C\C#N)/C=C/c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H23N/c1-19(2,3)18(12-13-20)11-9-15-8-10-16-6-4-5-7-17(16)14-15/h8-12,14H,4-7H2,1-3H3/b11-9+,18-12-
InChIKeyCBGAAFFAJHLLPN-NEAXLJNESA-N
XLogP5.07
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Diisopropylnaphthalene
CID 32241
2,6-Diisopropylnaphthalene
CID 32241
1,1,6-Trimethyl-1,2-dihydronaphthalene
CID 121677
1,1,6-Trimethyl-1,2-dihydronaphthalene
CID 121677
alpha-Ionene
CID 68057
alpha-Ionene
CID 68057
3,4-Dimethylbenzonitrile
CID 89884
3,4-Dimethylbenzonitrile
CID 89884
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
CID 38764
2-Naphthalenecarbonitrile
CID 11944
Abietatriene
CID 6432211
Abietatriene
CID 6432211

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile?
The IUPAC name of (2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile (CID 121373932) is (2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile.
What is the SMILES notation for (2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile?
The canonical SMILES for (2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile is CC(C)(C)C(=C\C#N)/C=C/c1ccc2c(c1)CCCC2.
What is the InChIKey of (2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile?
The InChIKey is CBGAAFFAJHLLPN-NEAXLJNESA-N. The full InChI is InChI=1S/C19H23N/c1-19(2,3)18(12-13-20)11-9-15-8-10-16-6-4-5-7-17(16)14-15/h8-12,14H,4-7H2,1-3H3/b11-9+,18-12-.
What are the key properties of (2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile?
(2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile has a molecular weight of 265.40 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-tert-butyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dienenitrile is sourced from PubChem (CID 121373932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).