5-ethyl-7-methylhexadecane

C19H40 — CID 173452938

IUPAC5-ethyl-7-methylhexadecane
SMILESCCCCCCCCCC(C)CC(CC)CCCC
InChIInChI=1S/C19H40/c1-5-8-10-11-12-13-14-15-18(4)17-19(7-3)16-9-6-2/h18-19H,5-17H2,1-4H3
InChIKeyMEDMTNMSPAOWJS-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.37
Rot. Bonds14

About 5-ethyl-7-methylhexadecane

5-ethyl-7-methylhexadecane (PubChem CID 173452938) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 5-ethyl-7-methylhexadecane.

Molecular Properties

Compound Name5-ethyl-7-methylhexadecane
PubChem CID173452938
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name5-ethyl-7-methylhexadecane
SMILESCCCCCCCCCC(C)CC(CC)CCCC
InChIInChI=1S/C19H40/c1-5-8-10-11-12-13-14-15-18(4)17-19(7-3)16-9-6-2/h18-19H,5-17H2,1-4H3
InChIKeyMEDMTNMSPAOWJS-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.37
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

11-ethyl-9-methylhenicosane
CID 154589575
9-butyl-7-methylhexadecane
CID 90905022
5,11-diethyl-7-methylpentadecane
CID 174871265
10-ethyl-2,6,12-trimethyloctacosane
CID 123697620
6-ethyl-2,8-dimethylicosane;2,6,9-trimethylhenicosane
CID 160563987
9,17-dimethyl-11,13,15-trioctylpentacosane
CID 140909341
6-ethyl-4-methyldecane
CID 22224210
6-methyl-8-propylpentadecane
CID 90954253
5-butyl-3-methyldodecane
CID 91590933
6-methyl-8-propylhexadecane
CID 91357269
8-methyl-6-propyltetradecane
CID 90964105
7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methylhexadecane?
The IUPAC name of 5-ethyl-7-methylhexadecane (CID 173452938) is 5-ethyl-7-methylhexadecane.
What is the SMILES notation for 5-ethyl-7-methylhexadecane?
The canonical SMILES for 5-ethyl-7-methylhexadecane is CCCCCCCCCC(C)CC(CC)CCCC.
What is the InChIKey of 5-ethyl-7-methylhexadecane?
The InChIKey is MEDMTNMSPAOWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-5-8-10-11-12-13-14-15-18(4)17-19(7-3)16-9-6-2/h18-19H,5-17H2,1-4H3.
What are the key properties of 5-ethyl-7-methylhexadecane?
5-ethyl-7-methylhexadecane has a molecular weight of 268.53 g/mol, XLogP of 7.37, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methylhexadecane is sourced from PubChem (CID 173452938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).