(2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile

C15H29N — CID 135772574

IUPAC(2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile
SMILESCCCC(C)C[C@H](C)C[C@H](C)C[C@H](C)C#N
InChIInChI=1S/C15H29N/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)11-16/h12-15H,6-10H2,1-5H3/t12?,13-,14-,15-/m0/s1
InChIKeyBVKDUWRLFYCNEH-WLUIXCMPSA-N
MW223.40 g/mol
LogP5.02
Rot. Bonds8

About (2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile

(2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile (PubChem CID 135772574) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile.

Molecular Properties

Compound Name(2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile
PubChem CID135772574
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile
SMILESCCCC(C)C[C@H](C)C[C@H](C)C[C@H](C)C#N
InChIInChI=1S/C15H29N/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)11-16/h12-15H,6-10H2,1-5H3/t12?,13-,14-,15-/m0/s1
InChIKeyBVKDUWRLFYCNEH-WLUIXCMPSA-N
XLogP5.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5,7,9-tetramethyldodecane
CID 91047062
2,4,6,8,10-pentamethyltridecane
CID 20715673
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
7-ethyl-3,5,9-trimethyldodecane
CID 123315944
(2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane
CID 56970315
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
CID 11474903
2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
CID 10655741
3,5,7,10,12-pentamethyltetradecane
CID 59582352
(2S)-2,4-dimethylpentanenitrile
CID 121493485
(2S,4R)-1-iodo-2,4-dimethylheptane
CID 10848517

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile?
The IUPAC name of (2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile (CID 135772574) is (2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile.
What is the SMILES notation for (2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile?
The canonical SMILES for (2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile is CCCC(C)C[C@H](C)C[C@H](C)C[C@H](C)C#N.
What is the InChIKey of (2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile?
The InChIKey is BVKDUWRLFYCNEH-WLUIXCMPSA-N. The full InChI is InChI=1S/C15H29N/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)11-16/h12-15H,6-10H2,1-5H3/t12?,13-,14-,15-/m0/s1.
What are the key properties of (2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile?
(2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile has a molecular weight of 223.40 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile is sourced from PubChem (CID 135772574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).