1-(2-butoxypropoxy)propan-2-yl pentanoate

C15H30O4 — CID 174499088

IUPAC1-(2-butoxypropoxy)propan-2-yl pentanoate
SMILESCCCCOC(C)COCC(C)OC(=O)CCCC
InChIInChI=1S/C15H30O4/c1-5-7-9-15(16)19-14(4)12-17-11-13(3)18-10-8-6-2/h13-14H,5-12H2,1-4H3
InChIKeyGRGFGNLPAFFNQF-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.33
Rot. Bonds12

About 1-(2-butoxypropoxy)propan-2-yl pentanoate

1-(2-butoxypropoxy)propan-2-yl pentanoate (PubChem CID 174499088) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(2-butoxypropoxy)propan-2-yl pentanoate.

Molecular Properties

Compound Name1-(2-butoxypropoxy)propan-2-yl pentanoate
PubChem CID174499088
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name1-(2-butoxypropoxy)propan-2-yl pentanoate
SMILESCCCCOC(C)COCC(C)OC(=O)CCCC
InChIInChI=1S/C15H30O4/c1-5-7-9-15(16)19-14(4)12-17-11-13(3)18-10-8-6-2/h13-14H,5-12H2,1-4H3
InChIKeyGRGFGNLPAFFNQF-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-propoxypropan-2-yl nonanoate
CID 91699050
1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate
CID 91732580
1-methoxypropan-2-yl icosanoate
CID 91752077
2-(2-butoxypropoxy)propyl octadecanoate
CID 87698050
2-tetradecoxypropyl tetradecanoate
CID 170841381
1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate
CID 121494098
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2-nonadecanoyloxypropyl nonadecanoate
CID 13161520
1-[1-[3-(2-hydroxypropoxy)-2,2-bis(2-hydroxypropoxymethyl)propoxy]propan-2-yloxy]propan-2-yl octadecanoate
CID 130231028

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxypropoxy)propan-2-yl pentanoate?
The IUPAC name of 1-(2-butoxypropoxy)propan-2-yl pentanoate (CID 174499088) is 1-(2-butoxypropoxy)propan-2-yl pentanoate.
What is the SMILES notation for 1-(2-butoxypropoxy)propan-2-yl pentanoate?
The canonical SMILES for 1-(2-butoxypropoxy)propan-2-yl pentanoate is CCCCOC(C)COCC(C)OC(=O)CCCC.
What is the InChIKey of 1-(2-butoxypropoxy)propan-2-yl pentanoate?
The InChIKey is GRGFGNLPAFFNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-5-7-9-15(16)19-14(4)12-17-11-13(3)18-10-8-6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-(2-butoxypropoxy)propan-2-yl pentanoate?
1-(2-butoxypropoxy)propan-2-yl pentanoate has a molecular weight of 274.40 g/mol, XLogP of 3.33, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxypropoxy)propan-2-yl pentanoate is sourced from PubChem (CID 174499088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).