1,5-dipropoxy-3-(2-propoxyethyl)pentane

C16H34O3 — CID 58572257

IUPAC1,5-dipropoxy-3-(2-propoxyethyl)pentane
SMILESCCCOCCC(CCOCCC)CCOCCC
InChIInChI=1S/C16H34O3/c1-4-10-17-13-7-16(8-14-18-11-5-2)9-15-19-12-6-3/h16H,4-15H2,1-3H3
InChIKeyNEJPURXQSNJLMW-UHFFFAOYSA-N
MW274.44 g/mol
LogP4.05
Rot. Bonds15

About 1,5-dipropoxy-3-(2-propoxyethyl)pentane

1,5-dipropoxy-3-(2-propoxyethyl)pentane (PubChem CID 58572257) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 1,5-dipropoxy-3-(2-propoxyethyl)pentane.

Molecular Properties

Compound Name1,5-dipropoxy-3-(2-propoxyethyl)pentane
PubChem CID58572257
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name1,5-dipropoxy-3-(2-propoxyethyl)pentane
SMILESCCCOCCC(CCOCCC)CCOCCC
InChIInChI=1S/C16H34O3/c1-4-10-17-13-7-16(8-14-18-11-5-2)9-15-19-12-6-3/h16H,4-15H2,1-3H3
InChIKeyNEJPURXQSNJLMW-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-propoxypentane
CID 123388243
5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]nonane
CID 150891032
N,N-dimethyl-4-propoxybutan-2-amine
CID 57318185
ethane;propane;1-propoxypropane
CID 143757970
1,2-dichloro-4-propoxybutane
CID 57016646
3-ethoxy-1-propoxybutane
CID 89015567
butane;bis(1,5-dipropoxy-3-(2-propoxyethyl)pentane);hexane;hexanenitrile;tetrakis(pentane);pentan-1-ol;propan-1-ol
CID 157123343
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
6-(2-ethoxyethyl)dodecane
CID 130410548
4-propoxybutan-2-ylhydrazine
CID 105282576
1-methoxy-1,3-dipropoxypropane
CID 54152160
7-(2-ethoxyethyl)tridecane
CID 130410574

Frequently Asked Questions

What is the IUPAC name of 1,5-dipropoxy-3-(2-propoxyethyl)pentane?
The IUPAC name of 1,5-dipropoxy-3-(2-propoxyethyl)pentane (CID 58572257) is 1,5-dipropoxy-3-(2-propoxyethyl)pentane.
What is the SMILES notation for 1,5-dipropoxy-3-(2-propoxyethyl)pentane?
The canonical SMILES for 1,5-dipropoxy-3-(2-propoxyethyl)pentane is CCCOCCC(CCOCCC)CCOCCC.
What is the InChIKey of 1,5-dipropoxy-3-(2-propoxyethyl)pentane?
The InChIKey is NEJPURXQSNJLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-4-10-17-13-7-16(8-14-18-11-5-2)9-15-19-12-6-3/h16H,4-15H2,1-3H3.
What are the key properties of 1,5-dipropoxy-3-(2-propoxyethyl)pentane?
1,5-dipropoxy-3-(2-propoxyethyl)pentane has a molecular weight of 274.44 g/mol, XLogP of 4.05, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dipropoxy-3-(2-propoxyethyl)pentane is sourced from PubChem (CID 58572257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).