11-methyl-11-nonylhenicosane

C31H64 — CID 19690388

IUPAC11-methyl-11-nonylhenicosane
SMILESCCCCCCCCCCC(C)(CCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C31H64/c1-5-8-11-14-17-20-23-26-29-31(4,28-25-22-19-16-13-10-7-3)30-27-24-21-18-15-12-9-6-2/h5-30H2,1-4H3
InChIKeyVRCDDXKHMAGHSS-UHFFFAOYSA-N
MW436.85 g/mol
LogP12.19
Rot. Bonds26

About 11-methyl-11-nonylhenicosane

11-methyl-11-nonylhenicosane (PubChem CID 19690388) has the molecular formula C31H64 and a molecular weight of 436.85 g/mol. Its IUPAC name is 11-methyl-11-nonylhenicosane.

Molecular Properties

Compound Name11-methyl-11-nonylhenicosane
PubChem CID19690388
Molecular FormulaC31H64
Molecular Weight436.85 g/mol
Exact Mass436.50
IUPAC Name11-methyl-11-nonylhenicosane
SMILESCCCCCCCCCCC(C)(CCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C31H64/c1-5-8-11-14-17-20-23-26-29-31(4,28-25-22-19-16-13-10-7-3)30-27-24-21-18-15-12-9-6-2/h5-30H2,1-4H3
InChIKeyVRCDDXKHMAGHSS-UHFFFAOYSA-N
XLogP12.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.85
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

13-methyl-13-octylhentriacontane
CID 173152457
5-butyl-5-methylpentadecane
CID 174700907
4-methyl-4-propylnonane
CID 54241684
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
6-(3-fluoropropyl)-6-methyldodecane
CID 137470516
7-(3-chloropropyl)-7-methyltridecane
CID 135291324
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
4-methyl-4-octyldodecan-1-ol
CID 87375187
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991

Frequently Asked Questions

What is the IUPAC name of 11-methyl-11-nonylhenicosane?
The IUPAC name of 11-methyl-11-nonylhenicosane (CID 19690388) is 11-methyl-11-nonylhenicosane.
What is the SMILES notation for 11-methyl-11-nonylhenicosane?
The canonical SMILES for 11-methyl-11-nonylhenicosane is CCCCCCCCCCC(C)(CCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 11-methyl-11-nonylhenicosane?
The InChIKey is VRCDDXKHMAGHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64/c1-5-8-11-14-17-20-23-26-29-31(4,28-25-22-19-16-13-10-7-3)30-27-24-21-18-15-12-9-6-2/h5-30H2,1-4H3.
What are the key properties of 11-methyl-11-nonylhenicosane?
11-methyl-11-nonylhenicosane has a molecular weight of 436.85 g/mol, XLogP of 12.19, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-11-nonylhenicosane is sourced from PubChem (CID 19690388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).