4-ethyl-5-ethyl-4,5-dimethyloctane

C14H29- — CID 91355965

IUPAC4-ethyl-5-ethyl-4,5-dimethyloctane
SMILESC[CH-]C(C)(CCC)C(C)(CC)CCC
InChIInChI=1S/C14H29/c1-7-11-13(5,9-3)14(6,10-4)12-8-2/h9H,7-8,10-12H2,1-6H3/q-1
InChIKeyDCYHPULMARMTND-UHFFFAOYSA-N
MW197.39 g/mol
LogP5.23
Rot. Bonds7

About 4-ethyl-5-ethyl-4,5-dimethyloctane

4-ethyl-5-ethyl-4,5-dimethyloctane (PubChem CID 91355965) has the molecular formula C14H29- and a molecular weight of 197.39 g/mol. Its IUPAC name is 4-ethyl-5-ethyl-4,5-dimethyloctane.

Molecular Properties

Compound Name4-ethyl-5-ethyl-4,5-dimethyloctane
PubChem CID91355965
Molecular FormulaC14H29-
Molecular Weight197.39 g/mol
Exact Mass197.23
IUPAC Name4-ethyl-5-ethyl-4,5-dimethyloctane
SMILESC[CH-]C(C)(CCC)C(C)(CC)CCC
InChIInChI=1S/C14H29/c1-7-11-13(5,9-3)14(6,10-4)12-8-2/h9H,7-8,10-12H2,1-6H3/q-1
InChIKeyDCYHPULMARMTND-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500197.39
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-4,5,5-trimethylnonane
CID 57492041
ethane;3-ethyl-2,2,3-trimethylhexane;methane
CID 143664746
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane
CID 59297459
3-methyl-3-(trifluoromethyl)heptane
CID 142541633
3,3-dimethylhexane
CID 11233
(4R)-4-chloro-4-methyloctane
CID 129374949
3-chloro-3,4,4-trimethylheptane
CID 54446871
butane;ethane;3-ethyl-2,2,3-trimethylpentane
CID 155745671
3-(aminomethyl)-3,4-dimethylheptan-4-ol
CID 80560039
5-ethyl-4,5,7-trimethyl-4-propylnonane-1,7-diol
CID 91870578
3,5-dichloro-3,5-dimethyloctane
CID 139809345

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-ethyl-4,5-dimethyloctane?
The IUPAC name of 4-ethyl-5-ethyl-4,5-dimethyloctane (CID 91355965) is 4-ethyl-5-ethyl-4,5-dimethyloctane.
What is the SMILES notation for 4-ethyl-5-ethyl-4,5-dimethyloctane?
The canonical SMILES for 4-ethyl-5-ethyl-4,5-dimethyloctane is C[CH-]C(C)(CCC)C(C)(CC)CCC.
What is the InChIKey of 4-ethyl-5-ethyl-4,5-dimethyloctane?
The InChIKey is DCYHPULMARMTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29/c1-7-11-13(5,9-3)14(6,10-4)12-8-2/h9H,7-8,10-12H2,1-6H3/q-1.
What are the key properties of 4-ethyl-5-ethyl-4,5-dimethyloctane?
4-ethyl-5-ethyl-4,5-dimethyloctane has a molecular weight of 197.39 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-ethyl-4,5-dimethyloctane is sourced from PubChem (CID 91355965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).