1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate

C23H46O4 — CID 121494098

IUPAC1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate
SMILESCCCCCCCCCCCCCCOCC(C)OCC(C)OC(=O)CC
InChIInChI=1S/C23H46O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-25-19-21(3)26-20-22(4)27-23(24)6-2/h21-22H,5-20H2,1-4H3
InChIKeyUSZDQUQLJBLEDN-UHFFFAOYSA-N
MW386.62 g/mol
LogP6.45
Rot. Bonds20

About 1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate

1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate (PubChem CID 121494098) has the molecular formula C23H46O4 and a molecular weight of 386.62 g/mol. Its IUPAC name is 1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate.

Molecular Properties

Compound Name1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate
PubChem CID121494098
Molecular FormulaC23H46O4
Molecular Weight386.62 g/mol
Exact Mass386.34
IUPAC Name1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate
SMILESCCCCCCCCCCCCCCOCC(C)OCC(C)OC(=O)CC
InChIInChI=1S/C23H46O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-25-19-21(3)26-20-22(4)27-23(24)6-2/h21-22H,5-20H2,1-4H3
InChIKeyUSZDQUQLJBLEDN-UHFFFAOYSA-N
XLogP6.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 90302179
sodium 2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]acetate
CID 175685080
1-pentoxypropan-2-yl acetate
CID 87356806
1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175
1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate
CID 91732580
(1-heptadecoxy-3-hydroxypropan-2-yl) propanoate
CID 164503226
1-propoxypropan-2-yl nonanoate
CID 91699050
1-(2-hexoxypropoxy)hexane
CID 71353992
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 21458420

Frequently Asked Questions

What is the IUPAC name of 1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate?
The IUPAC name of 1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate (CID 121494098) is 1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate.
What is the SMILES notation for 1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate?
The canonical SMILES for 1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate is CCCCCCCCCCCCCCOCC(C)OCC(C)OC(=O)CC.
What is the InChIKey of 1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate?
The InChIKey is USZDQUQLJBLEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-25-19-21(3)26-20-22(4)27-23(24)6-2/h21-22H,5-20H2,1-4H3.
What are the key properties of 1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate?
1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate has a molecular weight of 386.62 g/mol, XLogP of 6.45, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate is sourced from PubChem (CID 121494098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).