5,11-diethyl-7-methylpentadecane

C20H42 — CID 174871265

IUPAC5,11-diethyl-7-methylpentadecane
SMILESCCCCC(CC)CCCC(C)CC(CC)CCCC
InChIInChI=1S/C20H42/c1-6-10-14-19(8-3)16-12-13-18(5)17-20(9-4)15-11-7-2/h18-20H,6-17H2,1-5H3
InChIKeyPVILOOVDQSPEQP-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.62
Rot. Bonds14

About 5,11-diethyl-7-methylpentadecane

5,11-diethyl-7-methylpentadecane (PubChem CID 174871265) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 5,11-diethyl-7-methylpentadecane.

Molecular Properties

Compound Name5,11-diethyl-7-methylpentadecane
PubChem CID174871265
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name5,11-diethyl-7-methylpentadecane
SMILESCCCCC(CC)CCCC(C)CC(CC)CCCC
InChIInChI=1S/C20H42/c1-6-10-14-19(8-3)16-12-13-18(5)17-20(9-4)15-11-7-2/h18-20H,6-17H2,1-5H3
InChIKeyPVILOOVDQSPEQP-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 173452938
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7-ethyl-3-methylundecane
CID 57085432
8-ethyl-4,6-dimethyldodecane
CID 123186055
10-ethyl-2,6,12-trimethyloctacosane
CID 123697620
6-ethyl-1-fluoro-2-methyldecane
CID 130372234
14-butyl-8-ethyl-3,12,16,17-tetramethylicosane
CID 123942222
5-ethyl-3-methyldecan-1-ol
CID 54287791
6-ethyl-2,8-dimethylicosane;2,6,9-trimethylhenicosane
CID 160563987
2-ethyl-4-methyloctan-1-amine
CID 21358746
9-ethyl-3-methyltridecane
CID 54105230

Frequently Asked Questions

What is the IUPAC name of 5,11-diethyl-7-methylpentadecane?
The IUPAC name of 5,11-diethyl-7-methylpentadecane (CID 174871265) is 5,11-diethyl-7-methylpentadecane.
What is the SMILES notation for 5,11-diethyl-7-methylpentadecane?
The canonical SMILES for 5,11-diethyl-7-methylpentadecane is CCCCC(CC)CCCC(C)CC(CC)CCCC.
What is the InChIKey of 5,11-diethyl-7-methylpentadecane?
The InChIKey is PVILOOVDQSPEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-6-10-14-19(8-3)16-12-13-18(5)17-20(9-4)15-11-7-2/h18-20H,6-17H2,1-5H3.
What are the key properties of 5,11-diethyl-7-methylpentadecane?
5,11-diethyl-7-methylpentadecane has a molecular weight of 282.56 g/mol, XLogP of 7.62, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-diethyl-7-methylpentadecane is sourced from PubChem (CID 174871265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).