6,6-bis(2-ethylbutyl)undecane

C23H48 — CID 174469307

IUPAC6,6-bis(2-ethylbutyl)undecane
SMILESCCCCCC(CCCCC)(CC(CC)CC)CC(CC)CC
InChIInChI=1S/C23H48/c1-7-13-15-17-23(18-16-14-8-2,19-21(9-3)10-4)20-22(11-5)12-6/h21-22H,7-20H2,1-6H3
InChIKeyGEBSJIYUONYOBP-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.79
Rot. Bonds16

About 6,6-bis(2-ethylbutyl)undecane

6,6-bis(2-ethylbutyl)undecane (PubChem CID 174469307) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 6,6-bis(2-ethylbutyl)undecane.

Molecular Properties

Compound Name6,6-bis(2-ethylbutyl)undecane
PubChem CID174469307
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name6,6-bis(2-ethylbutyl)undecane
SMILESCCCCCC(CCCCC)(CC(CC)CC)CC(CC)CC
InChIInChI=1S/C23H48/c1-7-13-15-17-23(18-16-14-8-2,19-21(9-3)10-4)20-22(11-5)12-6/h21-22H,7-20H2,1-6H3
InChIKeyGEBSJIYUONYOBP-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.79
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

6,6-dipentylundecane
CID 19690398
3,5-diethyl-5-methylundecane
CID 123513202
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
5,5-bis(2-ethylhexyl)nonanedioic acid
CID 141156273
10,10-dibutylicosane
CID 151498539
2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930649
2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
4,4-bis(2-ethylhexyl)heptanedioic acid
CID 172816539

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(2-ethylbutyl)undecane?
The IUPAC name of 6,6-bis(2-ethylbutyl)undecane (CID 174469307) is 6,6-bis(2-ethylbutyl)undecane.
What is the SMILES notation for 6,6-bis(2-ethylbutyl)undecane?
The canonical SMILES for 6,6-bis(2-ethylbutyl)undecane is CCCCCC(CCCCC)(CC(CC)CC)CC(CC)CC.
What is the InChIKey of 6,6-bis(2-ethylbutyl)undecane?
The InChIKey is GEBSJIYUONYOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-7-13-15-17-23(18-16-14-8-2,19-21(9-3)10-4)20-22(11-5)12-6/h21-22H,7-20H2,1-6H3.
What are the key properties of 6,6-bis(2-ethylbutyl)undecane?
6,6-bis(2-ethylbutyl)undecane has a molecular weight of 324.64 g/mol, XLogP of 8.79, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(2-ethylbutyl)undecane is sourced from PubChem (CID 174469307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).