5,5-di(propan-2-yloxy)tetradecane

C20H42O2 — CID 150108162

IUPAC5,5-di(propan-2-yloxy)tetradecane
SMILESCCCCCCCCCC(CCCC)(OC(C)C)OC(C)C
InChIInChI=1S/C20H42O2/c1-7-9-11-12-13-14-15-17-20(16-10-8-2,21-18(3)4)22-19(5)6/h18-19H,7-17H2,1-6H3
InChIKeyDWRMXPUAFSAZDV-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.86
Rot. Bonds15

About 5,5-di(propan-2-yloxy)tetradecane

5,5-di(propan-2-yloxy)tetradecane (PubChem CID 150108162) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 5,5-di(propan-2-yloxy)tetradecane.

Molecular Properties

Compound Name5,5-di(propan-2-yloxy)tetradecane
PubChem CID150108162
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name5,5-di(propan-2-yloxy)tetradecane
SMILESCCCCCCCCCC(CCCC)(OC(C)C)OC(C)C
InChIInChI=1S/C20H42O2/c1-7-9-11-12-13-14-15-17-20(16-10-8-2,21-18(3)4)22-19(5)6/h18-19H,7-17H2,1-6H3
InChIKeyDWRMXPUAFSAZDV-UHFFFAOYSA-N
XLogP6.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3,3-trimethyl-2-propan-2-yloxyundecane
CID 151508379
10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane
CID 151805682
1,1,1-trifluoro-3-[tri(propan-2-yloxy)methyl]undecane
CID 151669303
10,10-dipropoxyicosane
CID 150666261
6,6-dipropoxydodecane
CID 89440027
3,3-dimethoxynonane
CID 14785776
10,10-dibutylicosane
CID 151498539
4-(dichloromethoxy)-4-methoxytridecane
CID 157145809
10,10-di(propan-2-yl)octacosane
CID 152510996
5-methoxy-5-pentoxytetradecane
CID 161410500
2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane
CID 122422564
5-ethyl-5-propan-2-yltetradecane
CID 123207557

Frequently Asked Questions

What is the IUPAC name of 5,5-di(propan-2-yloxy)tetradecane?
The IUPAC name of 5,5-di(propan-2-yloxy)tetradecane (CID 150108162) is 5,5-di(propan-2-yloxy)tetradecane.
What is the SMILES notation for 5,5-di(propan-2-yloxy)tetradecane?
The canonical SMILES for 5,5-di(propan-2-yloxy)tetradecane is CCCCCCCCCC(CCCC)(OC(C)C)OC(C)C.
What is the InChIKey of 5,5-di(propan-2-yloxy)tetradecane?
The InChIKey is DWRMXPUAFSAZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-7-9-11-12-13-14-15-17-20(16-10-8-2,21-18(3)4)22-19(5)6/h18-19H,7-17H2,1-6H3.
What are the key properties of 5,5-di(propan-2-yloxy)tetradecane?
5,5-di(propan-2-yloxy)tetradecane has a molecular weight of 314.55 g/mol, XLogP of 6.86, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-di(propan-2-yloxy)tetradecane is sourced from PubChem (CID 150108162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).