3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane

C23H48 — CID 153454152

IUPAC3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane
SMILESCCC(C)(CC)CCCCC(C(C)(CC)CC)C(C)(CC)CC
InChIInChI=1S/C23H48/c1-10-21(7,11-2)19-17-16-18-20(22(8,12-3)13-4)23(9,14-5)15-6/h20H,10-19H2,1-9H3
InChIKeyKZDMJMNKCCBLOF-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.64
Rot. Bonds13

About 3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane

3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane (PubChem CID 153454152) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane.

Molecular Properties

Compound Name3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane
PubChem CID153454152
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane
SMILESCCC(C)(CC)CCCCC(C(C)(CC)CC)C(C)(CC)CC
InChIInChI=1S/C23H48/c1-10-21(7,11-2)19-17-16-18-20(22(8,12-3)13-4)23(9,14-5)15-6/h20H,10-19H2,1-9H3
InChIKeyKZDMJMNKCCBLOF-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
3,6-diethyl-3,6-dimethyl-5-(3-methylpentan-3-yl)nonane
CID 153454160
5-ethyl-5-methyl-1-phosphorosoheptane
CID 174908187
7-ethyl-2,4,7-trimethylnonane
CID 57492126
(5-ethyl-5-methylheptyl)cyclopropane
CID 123293142
5-ethyl-5-methylundecane
CID 57491570
1,1-difluoro-6,6-dimethylheptane
CID 162546967
2,9-diethyl-2,9-dimethyldecane-1,10-diol
CID 3069679
5-ethyl-5-methylhenicosane
CID 86034991
2,11-diethyl-2,11-dimethyldodecane-1,12-diol
CID 3069683

Frequently Asked Questions

What is the IUPAC name of 3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane?
The IUPAC name of 3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane (CID 153454152) is 3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane.
What is the SMILES notation for 3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane?
The canonical SMILES for 3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane is CCC(C)(CC)CCCCC(C(C)(CC)CC)C(C)(CC)CC.
What is the InChIKey of 3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane?
The InChIKey is KZDMJMNKCCBLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-10-21(7,11-2)19-17-16-18-20(22(8,12-3)13-4)23(9,14-5)15-6/h20H,10-19H2,1-9H3.
What are the key properties of 3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane?
3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane has a molecular weight of 324.64 g/mol, XLogP of 8.64, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diethyl-3,9-dimethyl-4-(3-methylpentan-3-yl)undecane is sourced from PubChem (CID 153454152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).