2,3,3-trimethyl-2-propan-2-yloxyundecane

C17H36O — CID 151508379

IUPAC2,3,3-trimethyl-2-propan-2-yloxyundecane
SMILESCCCCCCCCC(C)(C)C(C)(C)OC(C)C
InChIInChI=1S/C17H36O/c1-8-9-10-11-12-13-14-16(4,5)17(6,7)18-15(2)3/h15H,8-14H2,1-7H3
InChIKeyPRXKRZAAKXNNEJ-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.97
Rot. Bonds10

About 2,3,3-trimethyl-2-propan-2-yloxyundecane

2,3,3-trimethyl-2-propan-2-yloxyundecane (PubChem CID 151508379) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 2,3,3-trimethyl-2-propan-2-yloxyundecane.

Molecular Properties

Compound Name2,3,3-trimethyl-2-propan-2-yloxyundecane
PubChem CID151508379
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name2,3,3-trimethyl-2-propan-2-yloxyundecane
SMILESCCCCCCCCC(C)(C)C(C)(C)OC(C)C
InChIInChI=1S/C17H36O/c1-8-9-10-11-12-13-14-16(4,5)17(6,7)18-15(2)3/h15H,8-14H2,1-7H3
InChIKeyPRXKRZAAKXNNEJ-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.97
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

5,5-di(propan-2-yloxy)tetradecane
CID 150108162
5,5,6,6-tetramethyltridecane
CID 173349107
3-methyl-3-(3-methyloctadecan-3-yloxy)octadecane
CID 141329279
1,1,1-trimethoxy-2,2-dimethyldecane
CID 150575533
3-methoxy-3-methyldodecane
CID 150409844
4-(2,4-dimethyloctadecan-4-yloxy)-2,4-dimethyloctadecane
CID 87666384
2,3,3-trimethylnonan-2-ol
CID 149434403
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
2,3,3-trimethyloctadecane
CID 90966938
6,6,7,7,8,8,9,9-octamethyl-10-(10,10,11,11,12,12,13,13-octamethyl-9-octyloctadecan-9-yl)oxy-10-octyloctadecane
CID 140991012
4-ethyl-2,4-dimethylundecane
CID 22481197
13-methyl-13-octylhentriacontane
CID 173152457

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-2-propan-2-yloxyundecane?
The IUPAC name of 2,3,3-trimethyl-2-propan-2-yloxyundecane (CID 151508379) is 2,3,3-trimethyl-2-propan-2-yloxyundecane.
What is the SMILES notation for 2,3,3-trimethyl-2-propan-2-yloxyundecane?
The canonical SMILES for 2,3,3-trimethyl-2-propan-2-yloxyundecane is CCCCCCCCC(C)(C)C(C)(C)OC(C)C.
What is the InChIKey of 2,3,3-trimethyl-2-propan-2-yloxyundecane?
The InChIKey is PRXKRZAAKXNNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-8-9-10-11-12-13-14-16(4,5)17(6,7)18-15(2)3/h15H,8-14H2,1-7H3.
What are the key properties of 2,3,3-trimethyl-2-propan-2-yloxyundecane?
2,3,3-trimethyl-2-propan-2-yloxyundecane has a molecular weight of 256.47 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-2-propan-2-yloxyundecane is sourced from PubChem (CID 151508379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).