5-(chloromethyl)-5-ethyltetradecane

C17H35Cl — CID 66036048

IUPAC5-(chloromethyl)-5-ethyltetradecane
SMILESCCCCCCCCCC(CC)(CCl)CCCC
InChIInChI=1S/C17H35Cl/c1-4-7-9-10-11-12-13-15-17(6-3,16-18)14-8-5-2/h4-16H2,1-3H3
InChIKeyLOGWPZUZIVUCBC-UHFFFAOYSA-N
MW274.92 g/mol
LogP6.95
Rot. Bonds13

About 5-(chloromethyl)-5-ethyltetradecane

5-(chloromethyl)-5-ethyltetradecane (PubChem CID 66036048) has the molecular formula C17H35Cl and a molecular weight of 274.92 g/mol. Its IUPAC name is 5-(chloromethyl)-5-ethyltetradecane.

Molecular Properties

Compound Name5-(chloromethyl)-5-ethyltetradecane
PubChem CID66036048
Molecular FormulaC17H35Cl
Molecular Weight274.92 g/mol
Exact Mass274.24
IUPAC Name5-(chloromethyl)-5-ethyltetradecane
SMILESCCCCCCCCCC(CC)(CCl)CCCC
InChIInChI=1S/C17H35Cl/c1-4-7-9-10-11-12-13-15-17(6-3,16-18)14-8-5-2/h4-16H2,1-3H3
InChIKeyLOGWPZUZIVUCBC-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.92
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-5-ethyldodecane
CID 66036047
7-butyl-7-ethyltetradecane
CID 174665936
10,10-dibutylicosane
CID 151498539
2-butyl-2-ethyldodecan-1-amine
CID 55195465
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
3-(chloromethyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 112592393
chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane
CID 139840774
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
3,3-bis(bromomethyl)pentadecane
CID 79455553

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-5-ethyltetradecane?
The IUPAC name of 5-(chloromethyl)-5-ethyltetradecane (CID 66036048) is 5-(chloromethyl)-5-ethyltetradecane.
What is the SMILES notation for 5-(chloromethyl)-5-ethyltetradecane?
The canonical SMILES for 5-(chloromethyl)-5-ethyltetradecane is CCCCCCCCCC(CC)(CCl)CCCC.
What is the InChIKey of 5-(chloromethyl)-5-ethyltetradecane?
The InChIKey is LOGWPZUZIVUCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35Cl/c1-4-7-9-10-11-12-13-15-17(6-3,16-18)14-8-5-2/h4-16H2,1-3H3.
What are the key properties of 5-(chloromethyl)-5-ethyltetradecane?
5-(chloromethyl)-5-ethyltetradecane has a molecular weight of 274.92 g/mol, XLogP of 6.95, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-5-ethyltetradecane is sourced from PubChem (CID 66036048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).