1,1,1-tributoxy-10-propoxydecane

C25H52O4 — CID 150583223

IUPAC1,1,1-tributoxy-10-propoxydecane
SMILESCCCCOC(CCCCCCCCCOCCC)(OCCCC)OCCCC
InChIInChI=1S/C25H52O4/c1-5-9-22-27-25(28-23-10-6-2,29-24-11-7-3)19-17-15-13-12-14-16-18-21-26-20-8-4/h5-24H2,1-4H3
InChIKeyIOHBRVRUMTXWIP-UHFFFAOYSA-N
MW416.69 g/mol
LogP7.64
Rot. Bonds24

About 1,1,1-tributoxy-10-propoxydecane

1,1,1-tributoxy-10-propoxydecane (PubChem CID 150583223) has the molecular formula C25H52O4 and a molecular weight of 416.69 g/mol. Its IUPAC name is 1,1,1-tributoxy-10-propoxydecane.

Molecular Properties

Compound Name1,1,1-tributoxy-10-propoxydecane
PubChem CID150583223
Molecular FormulaC25H52O4
Molecular Weight416.69 g/mol
Exact Mass416.39
IUPAC Name1,1,1-tributoxy-10-propoxydecane
SMILESCCCCOC(CCCCCCCCCOCCC)(OCCCC)OCCCC
InChIInChI=1S/C25H52O4/c1-5-9-22-27-25(28-23-10-6-2,29-24-11-7-3)19-17-15-13-12-14-16-18-21-26-20-8-4/h5-24H2,1-4H3
InChIKeyIOHBRVRUMTXWIP-UHFFFAOYSA-N
XLogP7.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.69
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-heptoxy-1-hexoxy-9-octylperoxy-1-pentoxynonane
CID 141003056
CID 177243868
CID 177243868
azane;1-propoxyoctane
CID 88631627
azane;1-propoxybutane
CID 87292575
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1,10-bis(2-butoxyethoxy)decane
CID 90257337
methane;1-propoxybutane
CID 162202436
1-butoxydotriacontane
CID 91693232
7-[10-(7-heptoxyheptoxy)decoxy]-7-[7-[10-(7-heptoxyheptoxy)decoxy]tridecan-7-yloxy]tridecane
CID 175370963
1-butoxy-5,5-dimethylhexane
CID 134574772
pentane;1-propoxypentane
CID 174500651
ethane;1-(2-propoxyethoxy)butane
CID 164535746

Frequently Asked Questions

What is the IUPAC name of 1,1,1-tributoxy-10-propoxydecane?
The IUPAC name of 1,1,1-tributoxy-10-propoxydecane (CID 150583223) is 1,1,1-tributoxy-10-propoxydecane.
What is the SMILES notation for 1,1,1-tributoxy-10-propoxydecane?
The canonical SMILES for 1,1,1-tributoxy-10-propoxydecane is CCCCOC(CCCCCCCCCOCCC)(OCCCC)OCCCC.
What is the InChIKey of 1,1,1-tributoxy-10-propoxydecane?
The InChIKey is IOHBRVRUMTXWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O4/c1-5-9-22-27-25(28-23-10-6-2,29-24-11-7-3)19-17-15-13-12-14-16-18-21-26-20-8-4/h5-24H2,1-4H3.
What are the key properties of 1,1,1-tributoxy-10-propoxydecane?
1,1,1-tributoxy-10-propoxydecane has a molecular weight of 416.69 g/mol, XLogP of 7.64, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-tributoxy-10-propoxydecane is sourced from PubChem (CID 150583223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).