3,4-diethyl-5,5-dimethyloctane

C14H30 — CID 57492543

IUPAC3,4-diethyl-5,5-dimethyloctane
SMILESCCCC(C)(C)C(CC)C(CC)CC
InChIInChI=1S/C14H30/c1-7-11-14(5,6)13(10-4)12(8-2)9-3/h12-13H,7-11H2,1-6H3
InChIKeyJSPAESUVQPUWGY-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds7

About 3,4-diethyl-5,5-dimethyloctane

3,4-diethyl-5,5-dimethyloctane (PubChem CID 57492543) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 3,4-diethyl-5,5-dimethyloctane.

Molecular Properties

Compound Name3,4-diethyl-5,5-dimethyloctane
PubChem CID57492543
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name3,4-diethyl-5,5-dimethyloctane
SMILESCCCC(C)(C)C(CC)C(CC)CC
InChIInChI=1S/C14H30/c1-7-11-14(5,6)13(10-4)12(8-2)9-3/h12-13H,7-11H2,1-6H3
InChIKeyJSPAESUVQPUWGY-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4-dimethylheptane-3-thiol
CID 174721074
5,5-dimethyloctane-4-thiol
CID 175152485
2,4,5,5-tetramethyloctane
CID 19844451
3,3-dimethylhexane-1,2-diol
CID 54538112
5-ethyl-3,3,4-trimethylnonane
CID 57492068
(6S)-3-ethyl-6-fluoro-4,6-dimethylnonane
CID 170941312
(5R)-5,6,6-trimethylnonan-3-amine
CID 88967140
1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane
CID 175461181
4,4-dimethylnonan-5-amine
CID 87513740
14-hexyl-13-(2-methylundecan-2-yl)triacontane
CID 19962270
3-tert-butyl-4-ethyl-2,2-dimethylhexane
CID 57493156
2,2,4,5,6,6-hexamethylnonane
CID 123538800

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5,5-dimethyloctane?
The IUPAC name of 3,4-diethyl-5,5-dimethyloctane (CID 57492543) is 3,4-diethyl-5,5-dimethyloctane.
What is the SMILES notation for 3,4-diethyl-5,5-dimethyloctane?
The canonical SMILES for 3,4-diethyl-5,5-dimethyloctane is CCCC(C)(C)C(CC)C(CC)CC.
What is the InChIKey of 3,4-diethyl-5,5-dimethyloctane?
The InChIKey is JSPAESUVQPUWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-11-14(5,6)13(10-4)12(8-2)9-3/h12-13H,7-11H2,1-6H3.
What are the key properties of 3,4-diethyl-5,5-dimethyloctane?
3,4-diethyl-5,5-dimethyloctane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5,5-dimethyloctane is sourced from PubChem (CID 57492543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).