1-(2-methylpropoxy)tridecane

C34H72O2 — CID 91526471

IUPAC1-(2-methylpropoxy)tridecane
SMILESCCCCCCCCCCCCCOCC(C)C.CCCCCCCCCCCCCOCC(C)C
InChIInChI=1S/2C17H36O/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17(2)3/h2*17H,4-16H2,1-3H3
InChIKeyQQNRKGJOXDHVQG-UHFFFAOYSA-N
MW512.95 g/mol
LogP11.94
Rot. Bonds28

About 1-(2-methylpropoxy)tridecane

1-(2-methylpropoxy)tridecane (PubChem CID 91526471) has the molecular formula C34H72O2 and a molecular weight of 512.95 g/mol. Its IUPAC name is 1-(2-methylpropoxy)tridecane.

Molecular Properties

Compound Name1-(2-methylpropoxy)tridecane
PubChem CID91526471
Molecular FormulaC34H72O2
Molecular Weight512.95 g/mol
Exact Mass512.55
IUPAC Name1-(2-methylpropoxy)tridecane
SMILESCCCCCCCCCCCCCOCC(C)C.CCCCCCCCCCCCCOCC(C)C
InChIInChI=1S/2C17H36O/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17(2)3/h2*17H,4-16H2,1-3H3
InChIKeyQQNRKGJOXDHVQG-UHFFFAOYSA-N
XLogP11.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.95
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropoxy)undecane
CID 58527571
1-tridecoxypropan-2-ol
CID 19798268
(2S)-1-octoxypropan-2-ol
CID 55250295
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
(2S)-2-(2-methylpropoxy)-3-octadecoxypropan-1-ol
CID 163881476
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
1-(2-hexoxypropoxy)hexane
CID 71353992
1-(2-ethylbutoxy)decane
CID 22002893
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)tridecane?
The IUPAC name of 1-(2-methylpropoxy)tridecane (CID 91526471) is 1-(2-methylpropoxy)tridecane.
What is the SMILES notation for 1-(2-methylpropoxy)tridecane?
The canonical SMILES for 1-(2-methylpropoxy)tridecane is CCCCCCCCCCCCCOCC(C)C.CCCCCCCCCCCCCOCC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)tridecane?
The InChIKey is QQNRKGJOXDHVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H36O/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17(2)3/h2*17H,4-16H2,1-3H3.
What are the key properties of 1-(2-methylpropoxy)tridecane?
1-(2-methylpropoxy)tridecane has a molecular weight of 512.95 g/mol, XLogP of 11.94, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)tridecane is sourced from PubChem (CID 91526471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).