6-ethyl-2-methyl-7-propylpentadecane

C21H44 — CID 123507470

IUPAC6-ethyl-2-methyl-7-propylpentadecane
SMILESCCCCCCCCC(CCC)C(CC)CCCC(C)C
InChIInChI=1S/C21H44/c1-6-9-10-11-12-13-17-21(15-7-2)20(8-3)18-14-16-19(4)5/h19-21H,6-18H2,1-5H3
InChIKeyMVFWMVKWXPQLGF-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.01
Rot. Bonds15

About 6-ethyl-2-methyl-7-propylpentadecane

6-ethyl-2-methyl-7-propylpentadecane (PubChem CID 123507470) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 6-ethyl-2-methyl-7-propylpentadecane.

Molecular Properties

Compound Name6-ethyl-2-methyl-7-propylpentadecane
PubChem CID123507470
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name6-ethyl-2-methyl-7-propylpentadecane
SMILESCCCCCCCCC(CCC)C(CC)CCCC(C)C
InChIInChI=1S/C21H44/c1-6-9-10-11-12-13-17-21(15-7-2)20(8-3)18-14-16-19(4)5/h19-21H,6-18H2,1-5H3
InChIKeyMVFWMVKWXPQLGF-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 58.01
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

7-ethyl-6-propyltridecane
CID 530352
2-methyl-10,11-bis(8-methylnonyl)docosane
CID 173154476
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
5-butyl-6-ethyldodecane
CID 529932
5-ethyl-4,9,10-tripropyltridecane
CID 21351361
7,8-dipropyltetradecane
CID 530307
4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
9,10-diethyloctadecane
CID 530164
8-ethyl-4-methyl-7-propyltetradecane
CID 90981946
2-methylbutane;2-methyltridecane
CID 54106775

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-7-propylpentadecane?
The IUPAC name of 6-ethyl-2-methyl-7-propylpentadecane (CID 123507470) is 6-ethyl-2-methyl-7-propylpentadecane.
What is the SMILES notation for 6-ethyl-2-methyl-7-propylpentadecane?
The canonical SMILES for 6-ethyl-2-methyl-7-propylpentadecane is CCCCCCCCC(CCC)C(CC)CCCC(C)C.
What is the InChIKey of 6-ethyl-2-methyl-7-propylpentadecane?
The InChIKey is MVFWMVKWXPQLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-6-9-10-11-12-13-17-21(15-7-2)20(8-3)18-14-16-19(4)5/h19-21H,6-18H2,1-5H3.
What are the key properties of 6-ethyl-2-methyl-7-propylpentadecane?
6-ethyl-2-methyl-7-propylpentadecane has a molecular weight of 296.58 g/mol, XLogP of 8.01, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-7-propylpentadecane is sourced from PubChem (CID 123507470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).