7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane

C75H162 — CID 161368370

IUPAC7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
SMILESCCCCCCC(CC)CCCC.CCCCCCCCC.CCCCCCCCC(C)CC.CCCCCCCCC(CC)CCCCCC.CCCCCCCCCCC.CCCCCCCCCCCCC
InChIInChI=1S/C17H36.2C13H28.C12H26.C11H24.C9H20/c1-4-7-9-11-12-14-16-17(6-3)15-13-10-8-5-2;1-4-7-9-10-12-13(6-3)11-8-5-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-4-6-7-8-9-10-11-12(3)5-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-8-6-4-2/h17H,4-16H2,1-3H3;13H,4-12H2,1-3H3;3-13H2,1-2H3;12H,4-11H2,1-3H3;3-11H2,1-2H3;3-9H2,1-2H3
InChIKeyVQCWYTVFJUCLFT-UHFFFAOYSA-N
MW1064.12 g/mol
LogP30.30
Rot. Bonds54

About 7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane

7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane (PubChem CID 161368370) has the molecular formula C75H162 and a molecular weight of 1064.12 g/mol. Its IUPAC name is 7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane.

Molecular Properties

Compound Name7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
PubChem CID161368370
Molecular FormulaC75H162
Molecular Weight1064.12 g/mol
Exact Mass1063.27
IUPAC Name7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
SMILESCCCCCCC(CC)CCCC.CCCCCCCCC.CCCCCCCCC(C)CC.CCCCCCCCC(CC)CCCCCC.CCCCCCCCCCC.CCCCCCCCCCCCC
InChIInChI=1S/C17H36.2C13H28.C12H26.C11H24.C9H20/c1-4-7-9-11-12-14-16-17(6-3)15-13-10-8-5-2;1-4-7-9-10-12-13(6-3)11-8-5-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-4-6-7-8-9-10-11-12(3)5-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-8-6-4-2/h17H,4-16H2,1-3H3;13H,4-12H2,1-3H3;3-13H2,1-2H3;12H,4-11H2,1-3H3;3-11H2,1-2H3;3-9H2,1-2H3
InChIKeyVQCWYTVFJUCLFT-UHFFFAOYSA-N
XLogP30.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds54
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001064.12
LogP ≤ 530.30
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

9-ethyl-3-methyltridecane
CID 54105230
13-ethyl-3,8-dimethyloctadecane
CID 123214629
7-ethyl-3-methylundecane
CID 57085432
15-butyl-3,6-dimethylhexacosane
CID 153276660
5-ethyl-8-methyltetradecane
CID 158454229
11-ethyl-3-methyltetradecane
CID 123200411
19-ethyl-15-methyltetratriacontane
CID 123150994
(3R)-3-methyltetracosane
CID 162842417
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methylheptane;octane
CID 144782281

Frequently Asked Questions

What is the IUPAC name of 7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane?
The IUPAC name of 7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane (CID 161368370) is 7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane.
What is the SMILES notation for 7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane?
The canonical SMILES for 7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane is CCCCCCC(CC)CCCC.CCCCCCCCC.CCCCCCCCC(C)CC.CCCCCCCCC(CC)CCCCCC.CCCCCCCCCCC.CCCCCCCCCCCCC.
What is the InChIKey of 7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane?
The InChIKey is VQCWYTVFJUCLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36.2C13H28.C12H26.C11H24.C9H20/c1-4-7-9-11-12-14-16-17(6-3)15-13-10-8-5-2;1-4-7-9-10-12-13(6-3)11-8-5-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-4-6-7-8-9-10-11-12(3)5-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-8-6-4-2/h17H,4-16H2,1-3H3;13H,4-12H2,1-3H3;3-13H2,1-2H3;12H,4-11H2,1-3H3;3-11H2,1-2H3;3-9H2,1-2H3.
What are the key properties of 7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane?
7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane has a molecular weight of 1064.12 g/mol, XLogP of 30.30, 54 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane is sourced from PubChem (CID 161368370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).