3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane

C21H44 — CID 153454160

IUPAC3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane
SMILESCCCC(C)(CC)C(CC(C)(CC)CC)C(C)(CC)CC
InChIInChI=1S/C21H44/c1-10-16-21(9,15-6)18(20(8,13-4)14-5)17-19(7,11-2)12-3/h18H,10-17H2,1-9H3
InChIKeyBLRJQEUYZYSHBL-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.86
Rot. Bonds11

About 3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane

3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane (PubChem CID 153454160) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane.

Molecular Properties

Compound Name3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane
PubChem CID153454160
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane
SMILESCCCC(C)(CC)C(CC(C)(CC)CC)C(C)(CC)CC
InChIInChI=1S/C21H44/c1-10-16-21(9,15-6)18(20(8,13-4)14-5)17-19(7,11-2)12-3/h18H,10-17H2,1-9H3
InChIKeyBLRJQEUYZYSHBL-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane?
The IUPAC name of 3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane (CID 153454160) is 3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane.
What is the SMILES notation for 3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane?
The canonical SMILES for 3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane is CCCC(C)(CC)C(CC(C)(CC)CC)C(C)(CC)CC.
What is the InChIKey of 3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane?
The InChIKey is BLRJQEUYZYSHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-10-16-21(9,15-6)18(20(8,13-4)14-5)17-19(7,11-2)12-3/h18H,10-17H2,1-9H3.
What are the key properties of 3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane?
3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane has a molecular weight of 296.58 g/mol, XLogP of 7.86, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane is sourced from PubChem (CID 153454160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).