3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane

C19H42 — CID 143303166

IUPAC3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane
SMILESCC.CCCCC(CC)CC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36.C2H6/c1-9-11-12-14(10-2)13-15(16(3,4)5)17(6,7)8;1-2/h14-15H,9-13H2,1-8H3;1-2H3
InChIKeyKNHPAPKVCINFBZ-UHFFFAOYSA-N
MW270.54 g/mol
LogP7.33
Rot. Bonds6

About 3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane

3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane (PubChem CID 143303166) has the molecular formula C19H42 and a molecular weight of 270.54 g/mol. Its IUPAC name is 3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane.

Molecular Properties

Compound Name3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane
PubChem CID143303166
Molecular FormulaC19H42
Molecular Weight270.54 g/mol
Exact Mass270.33
IUPAC Name3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane
SMILESCC.CCCCC(CC)CC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36.C2H6/c1-9-11-12-14(10-2)13-15(16(3,4)5)17(6,7)8;1-2/h14-15H,9-13H2,1-8H3;1-2H3
InChIKeyKNHPAPKVCINFBZ-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.54
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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5,9-diethyl-7-(2-ethylpentyl)tridecane
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CID 123791231
6-ethyl-3,3-dimethyldecan-4-ol
CID 114981382
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
6-ethyl-4-methyldecane
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5-ethyl-3-hexyl-2-methylnonan-2-amine
CID 3024221

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane?
The IUPAC name of 3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane (CID 143303166) is 3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane.
What is the SMILES notation for 3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane?
The canonical SMILES for 3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane is CC.CCCCC(CC)CC(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane?
The InChIKey is KNHPAPKVCINFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36.C2H6/c1-9-11-12-14(10-2)13-15(16(3,4)5)17(6,7)8;1-2/h14-15H,9-13H2,1-8H3;1-2H3.
What are the key properties of 3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane?
3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane has a molecular weight of 270.54 g/mol, XLogP of 7.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane is sourced from PubChem (CID 143303166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).