7-(2-methylpropyl)-6-pentyltridecane

C22H46 — CID 54089544

IUPAC7-(2-methylpropyl)-6-pentyltridecane
SMILESCCCCCCC(CC(C)C)C(CCCCC)CCCCC
InChIInChI=1S/C22H46/c1-6-9-12-15-18-22(19-20(4)5)21(16-13-10-7-2)17-14-11-8-3/h20-22H,6-19H2,1-5H3
InChIKeyNZRBAWZDVSMEBO-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.40
Rot. Bonds16

About 7-(2-methylpropyl)-6-pentyltridecane

7-(2-methylpropyl)-6-pentyltridecane (PubChem CID 54089544) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 7-(2-methylpropyl)-6-pentyltridecane.

Molecular Properties

Compound Name7-(2-methylpropyl)-6-pentyltridecane
PubChem CID54089544
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name7-(2-methylpropyl)-6-pentyltridecane
SMILESCCCCCCC(CC(C)C)C(CCCCC)CCCCC
InChIInChI=1S/C22H46/c1-6-9-12-15-18-22(19-20(4)5)21(16-13-10-7-2)17-14-11-8-3/h20-22H,6-19H2,1-5H3
InChIKeyNZRBAWZDVSMEBO-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.40
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

4-methyl-10-(2-methylheptan-4-yl)heptadecane
CID 123244941
2-methyl-10,11-bis(8-methylnonyl)docosane
CID 173154476
9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
8,9-dibutylhexadecane
CID 530025
5-butyl-6-ethyldodecane
CID 529932
9,10-diethyloctadecane
CID 530164
4,5-dipropyltetradecane
CID 21490606
7,8-dipropyltetradecane
CID 530307
8-hexyl-7-propyltriacontane
CID 21490607

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-6-pentyltridecane?
The IUPAC name of 7-(2-methylpropyl)-6-pentyltridecane (CID 54089544) is 7-(2-methylpropyl)-6-pentyltridecane.
What is the SMILES notation for 7-(2-methylpropyl)-6-pentyltridecane?
The canonical SMILES for 7-(2-methylpropyl)-6-pentyltridecane is CCCCCCC(CC(C)C)C(CCCCC)CCCCC.
What is the InChIKey of 7-(2-methylpropyl)-6-pentyltridecane?
The InChIKey is NZRBAWZDVSMEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-6-9-12-15-18-22(19-20(4)5)21(16-13-10-7-2)17-14-11-8-3/h20-22H,6-19H2,1-5H3.
What are the key properties of 7-(2-methylpropyl)-6-pentyltridecane?
7-(2-methylpropyl)-6-pentyltridecane has a molecular weight of 310.61 g/mol, XLogP of 8.40, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-6-pentyltridecane is sourced from PubChem (CID 54089544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).