5-(2-methylpropyl)-7-pentan-2-yltetradecane

C23H48 — CID 123467304

IUPAC5-(2-methylpropyl)-7-pentan-2-yltetradecane
SMILESCCCCCCCC(CC(CCCC)CC(C)C)C(C)CCC
InChIInChI=1S/C23H48/c1-7-10-12-13-14-17-23(21(6)15-9-3)19-22(16-11-8-2)18-20(4)5/h20-23H,7-19H2,1-6H3
InChIKeyMRZWQHWWQIFDFK-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.64
Rot. Bonds16

About 5-(2-methylpropyl)-7-pentan-2-yltetradecane

5-(2-methylpropyl)-7-pentan-2-yltetradecane (PubChem CID 123467304) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 5-(2-methylpropyl)-7-pentan-2-yltetradecane.

Molecular Properties

Compound Name5-(2-methylpropyl)-7-pentan-2-yltetradecane
PubChem CID123467304
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name5-(2-methylpropyl)-7-pentan-2-yltetradecane
SMILESCCCCCCCC(CC(CCCC)CC(C)C)C(C)CCC
InChIInChI=1S/C23H48/c1-7-10-12-13-14-17-23(21(6)15-9-3)19-22(16-11-8-2)18-20(4)5/h20-23H,7-19H2,1-6H3
InChIKeyMRZWQHWWQIFDFK-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.64
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

8-butan-2-yl-6-ethylpentadecane
CID 123398993
4-ethyl-2-methyldecane
CID 19893744
9-butyl-10-methyloctadecane
CID 174796911
11-butyl-12-methyldocosane
CID 151619606
3-ethyl-2-methyl-5-(2-methylpropyl)nonane
CID 123359342
7-(2-methylpropyl)-6-pentyltridecane
CID 54089544
2,4,5-trimethyldodecane
CID 123969029
2,5-dimethyl-4-propyloctane
CID 57491236
8-methyl-7-pentylhexadecane
CID 123739023
4-(bromomethyl)-2-methylundecane
CID 66049402
2-(2-methylpropyl)undecan-1-ol
CID 66059386
2,5,11-trimethyl-4-propyldodecane
CID 123176237

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-7-pentan-2-yltetradecane?
The IUPAC name of 5-(2-methylpropyl)-7-pentan-2-yltetradecane (CID 123467304) is 5-(2-methylpropyl)-7-pentan-2-yltetradecane.
What is the SMILES notation for 5-(2-methylpropyl)-7-pentan-2-yltetradecane?
The canonical SMILES for 5-(2-methylpropyl)-7-pentan-2-yltetradecane is CCCCCCCC(CC(CCCC)CC(C)C)C(C)CCC.
What is the InChIKey of 5-(2-methylpropyl)-7-pentan-2-yltetradecane?
The InChIKey is MRZWQHWWQIFDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-7-10-12-13-14-17-23(21(6)15-9-3)19-22(16-11-8-2)18-20(4)5/h20-23H,7-19H2,1-6H3.
What are the key properties of 5-(2-methylpropyl)-7-pentan-2-yltetradecane?
5-(2-methylpropyl)-7-pentan-2-yltetradecane has a molecular weight of 324.64 g/mol, XLogP of 8.64, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-7-pentan-2-yltetradecane is sourced from PubChem (CID 123467304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).