(4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile

C22H43N — CID 174001741

IUPAC(4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile
SMILESCCCCCCCC(C(C)C)C(C)C[C@@H](C)CC(C#N)C(C)C
InChIInChI=1S/C22H43N/c1-8-9-10-11-12-13-22(18(4)5)20(7)14-19(6)15-21(16-23)17(2)3/h17-22H,8-15H2,1-7H3/t19-,20?,21?,22?/m1/s1
InChIKeyUARIESQEPRSSNI-AOFALMCMSA-N
MW321.59 g/mol
LogP7.47
Rot. Bonds13

About (4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile

(4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile (PubChem CID 174001741) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is (4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile.

Molecular Properties

Compound Name(4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile
PubChem CID174001741
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC Name(4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile
SMILESCCCCCCCC(C(C)C)C(C)C[C@@H](C)CC(C#N)C(C)C
InChIInChI=1S/C22H43N/c1-8-9-10-11-12-13-22(18(4)5)20(7)14-19(6)15-21(16-23)17(2)3/h17-22H,8-15H2,1-7H3/t19-,20?,21?,22?/m1/s1
InChIKeyUARIESQEPRSSNI-AOFALMCMSA-N
XLogP7.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-propan-2-yltetradecane
CID 154298453
5-methyl-4-propan-2-yltetradecane
CID 123996280
21,25-dimethylhentriacontanenitrile
CID 527376
2-octadecylicosanenitrile
CID 89491101
2-octyldodecanenitrile
CID 87721815
7,11-dimethylpentatriacontane
CID 6430674
11,15-dimethylheptacosane
CID 6430046
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
15,19-dimethylpentatriacontane
CID 521781
10,14,18-trimethyldotriacontane
CID 86017574
10,14-dimethyltetratriacontane
CID 86017565

Frequently Asked Questions

What is the IUPAC name of (4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile?
The IUPAC name of (4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile (CID 174001741) is (4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile.
What is the SMILES notation for (4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile?
The canonical SMILES for (4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile is CCCCCCCC(C(C)C)C(C)C[C@@H](C)CC(C#N)C(C)C.
What is the InChIKey of (4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile?
The InChIKey is UARIESQEPRSSNI-AOFALMCMSA-N. The full InChI is InChI=1S/C22H43N/c1-8-9-10-11-12-13-22(18(4)5)20(7)14-19(6)15-21(16-23)17(2)3/h17-22H,8-15H2,1-7H3/t19-,20?,21?,22?/m1/s1.
What are the key properties of (4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile?
(4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile has a molecular weight of 321.59 g/mol, XLogP of 7.47, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,6-dimethyl-2,7-di(propan-2-yl)tetradecanenitrile is sourced from PubChem (CID 174001741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).