7-butyl-7-ethyltetradecane

C20H42 — CID 174665936

IUPAC7-butyl-7-ethyltetradecane
SMILESCCCCCCCC(CC)(CCCC)CCCCCC
InChIInChI=1S/C20H42/c1-5-9-12-14-16-19-20(8-4,17-11-7-3)18-15-13-10-6-2/h5-19H2,1-4H3
InChIKeyMQPHRGIRGNBWAN-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.90
Rot. Bonds15

About 7-butyl-7-ethyltetradecane

7-butyl-7-ethyltetradecane (PubChem CID 174665936) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 7-butyl-7-ethyltetradecane.

Molecular Properties

Compound Name7-butyl-7-ethyltetradecane
PubChem CID174665936
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name7-butyl-7-ethyltetradecane
SMILESCCCCCCCC(CC)(CCCC)CCCCCC
InChIInChI=1S/C20H42/c1-5-9-12-14-16-19-20(8-4,17-11-7-3)18-15-13-10-6-2/h5-19H2,1-4H3
InChIKeyMQPHRGIRGNBWAN-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.90
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

10,10-dibutylicosane
CID 151498539
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
5-(chloromethyl)-5-ethyltetradecane
CID 66036048
2-butyl-2-ethyldodecan-1-amine
CID 55195465
5-(chloromethyl)-5-ethyldodecane
CID 66036047
9,9-dioctyloctadecane
CID 19690418
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
8-hexyl-8-pentylhexadecane
CID 521602
5-(bromomethyl)-5-ethyldecane
CID 66050234
3,3-bis(bromomethyl)pentadecane
CID 79455553
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049

Frequently Asked Questions

What is the IUPAC name of 7-butyl-7-ethyltetradecane?
The IUPAC name of 7-butyl-7-ethyltetradecane (CID 174665936) is 7-butyl-7-ethyltetradecane.
What is the SMILES notation for 7-butyl-7-ethyltetradecane?
The canonical SMILES for 7-butyl-7-ethyltetradecane is CCCCCCCC(CC)(CCCC)CCCCCC.
What is the InChIKey of 7-butyl-7-ethyltetradecane?
The InChIKey is MQPHRGIRGNBWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-5-9-12-14-16-19-20(8-4,17-11-7-3)18-15-13-10-6-2/h5-19H2,1-4H3.
What are the key properties of 7-butyl-7-ethyltetradecane?
7-butyl-7-ethyltetradecane has a molecular weight of 282.56 g/mol, XLogP of 7.90, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-7-ethyltetradecane is sourced from PubChem (CID 174665936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).