1-ethoxy-5,5-dimethyl-4-propylundecane

C18H38O — CID 130434070

IUPAC1-ethoxy-5,5-dimethyl-4-propylundecane
SMILESCCCCCCC(C)(C)C(CCC)CCCOCC
InChIInChI=1S/C18H38O/c1-6-9-10-11-15-18(4,5)17(13-7-2)14-12-16-19-8-3/h17H,6-16H2,1-5H3
InChIKeyCQPGVFKQGTZEBP-UHFFFAOYSA-N
MW270.50 g/mol
LogP6.22
Rot. Bonds13

About 1-ethoxy-5,5-dimethyl-4-propylundecane

1-ethoxy-5,5-dimethyl-4-propylundecane (PubChem CID 130434070) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-ethoxy-5,5-dimethyl-4-propylundecane.

Molecular Properties

Compound Name1-ethoxy-5,5-dimethyl-4-propylundecane
PubChem CID130434070
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name1-ethoxy-5,5-dimethyl-4-propylundecane
SMILESCCCCCCC(C)(C)C(CCC)CCCOCC
InChIInChI=1S/C18H38O/c1-6-9-10-11-15-18(4,5)17(13-7-2)14-12-16-19-8-3/h17H,6-16H2,1-5H3
InChIKeyCQPGVFKQGTZEBP-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-(2-methylheptan-2-yl)docosane
CID 57252514
1-ethoxynonan-4-amine
CID 105129941
1-propoxy-4-(triethoxymethyl)dodecane
CID 151853083
4,5,5-trimethyldodecane
CID 123360574
1,4-diethoxydecane
CID 140997951
6-(4,4-difluorobutyl)-5,5-dimethylundecane
CID 88795161
3,3-dimethyl-4-propyloctane
CID 57491237
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-(3-ethoxypropoxy)tetradecane
CID 91693148
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
4,4-diethoxy-5-propyltridecane
CID 152734568

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5,5-dimethyl-4-propylundecane?
The IUPAC name of 1-ethoxy-5,5-dimethyl-4-propylundecane (CID 130434070) is 1-ethoxy-5,5-dimethyl-4-propylundecane.
What is the SMILES notation for 1-ethoxy-5,5-dimethyl-4-propylundecane?
The canonical SMILES for 1-ethoxy-5,5-dimethyl-4-propylundecane is CCCCCCC(C)(C)C(CCC)CCCOCC.
What is the InChIKey of 1-ethoxy-5,5-dimethyl-4-propylundecane?
The InChIKey is CQPGVFKQGTZEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-6-9-10-11-15-18(4,5)17(13-7-2)14-12-16-19-8-3/h17H,6-16H2,1-5H3.
What are the key properties of 1-ethoxy-5,5-dimethyl-4-propylundecane?
1-ethoxy-5,5-dimethyl-4-propylundecane has a molecular weight of 270.50 g/mol, XLogP of 6.22, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5,5-dimethyl-4-propylundecane is sourced from PubChem (CID 130434070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).