4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane

C20H42 — CID 59297459

IUPAC4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane
SMILESCCCCCC(C)(C(C)(C)CCC)C(C)(CC)CCC
InChIInChI=1S/C20H42/c1-9-13-14-17-20(8,18(5,6)15-10-2)19(7,12-4)16-11-3/h9-17H2,1-8H3
InChIKeyQRCXAOXELVPEDO-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.62
Rot. Bonds11

About 4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane

4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane (PubChem CID 59297459) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane.

Molecular Properties

Compound Name4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane
PubChem CID59297459
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane
SMILESCCCCCC(C)(C(C)(C)CCC)C(C)(CC)CCC
InChIInChI=1S/C20H42/c1-9-13-14-17-20(8,18(5,6)15-10-2)19(7,12-4)16-11-3/h9-17H2,1-8H3
InChIKeyQRCXAOXELVPEDO-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.62
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

2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane
CID 59297460
bis(4-ethyl-4,5,6,7,7-pentamethyl-5,6-dipropyldecane);bis(tritium monohydride)
CID 159832356
4-ethyl-4,5,5-trimethylnonane
CID 57492041
3-methoxy-3-methyldodecane
CID 150409844
4-chloro-4,5,5-trimethylhenicosane
CID 166725540
4-methyl-4-propylnonane
CID 54241684
5,5,6,6-tetramethyltridecane
CID 173349107
3-chloro-3-methyloctadecane
CID 158282272
ethane;4-ethyl-4-methylnonane
CID 164538733
2-chloro-2-ethylheptanoic acid
CID 178066916
3,3-dimethylpentadecane
CID 86034940
3-ethyl-3-methyldecane
CID 545661

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane?
The IUPAC name of 4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane (CID 59297459) is 4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane.
What is the SMILES notation for 4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane?
The canonical SMILES for 4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane is CCCCCC(C)(C(C)(C)CCC)C(C)(CC)CCC.
What is the InChIKey of 4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane?
The InChIKey is QRCXAOXELVPEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-9-13-14-17-20(8,18(5,6)15-10-2)19(7,12-4)16-11-3/h9-17H2,1-8H3.
What are the key properties of 4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane?
4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane has a molecular weight of 282.56 g/mol, XLogP of 7.62, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane is sourced from PubChem (CID 59297459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).