6-ethyl-7-pentyltetradecane

C21H44 — CID 123140274

IUPAC6-ethyl-7-pentyltetradecane
SMILESCCCCCCCC(CCCCC)C(CC)CCCCC
InChIInChI=1S/C21H44/c1-5-9-12-13-16-19-21(18-15-11-7-3)20(8-4)17-14-10-6-2/h20-21H,5-19H2,1-4H3
InChIKeyCVAYXTAUUPOGSO-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.15
Rot. Bonds16

About 6-ethyl-7-pentyltetradecane

6-ethyl-7-pentyltetradecane (PubChem CID 123140274) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 6-ethyl-7-pentyltetradecane.

Molecular Properties

Compound Name6-ethyl-7-pentyltetradecane
PubChem CID123140274
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name6-ethyl-7-pentyltetradecane
SMILESCCCCCCCC(CCCCC)C(CC)CCCCC
InChIInChI=1S/C21H44/c1-5-9-12-13-16-19-21(18-15-11-7-3)20(8-4)17-14-10-6-2/h20-21H,5-19H2,1-4H3
InChIKeyCVAYXTAUUPOGSO-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 58.15
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

19-heptadecan-3-ylnonatriacontane
CID 57212477
5-butyl-6-ethyldodecane
CID 529932
9,10-diethyloctadecane
CID 530164
7-ethyl-6-propyltridecane
CID 530352
5,6-diethyldodecane
CID 90761715
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
8,9-dibutylhexadecane
CID 530025
8-ethyl-7-methylhexadecane
CID 56974440
4-ethyl-3-methylundecane
CID 57279647
8-hexyl-7-propyltriacontane
CID 21490607
4,5-dipropyltetradecane
CID 21490606

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-pentyltetradecane?
The IUPAC name of 6-ethyl-7-pentyltetradecane (CID 123140274) is 6-ethyl-7-pentyltetradecane.
What is the SMILES notation for 6-ethyl-7-pentyltetradecane?
The canonical SMILES for 6-ethyl-7-pentyltetradecane is CCCCCCCC(CCCCC)C(CC)CCCCC.
What is the InChIKey of 6-ethyl-7-pentyltetradecane?
The InChIKey is CVAYXTAUUPOGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-5-9-12-13-16-19-21(18-15-11-7-3)20(8-4)17-14-10-6-2/h20-21H,5-19H2,1-4H3.
What are the key properties of 6-ethyl-7-pentyltetradecane?
6-ethyl-7-pentyltetradecane has a molecular weight of 296.58 g/mol, XLogP of 8.15, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-pentyltetradecane is sourced from PubChem (CID 123140274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).