1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate

C16H32O4 — CID 91732580

IUPAC1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate
SMILESCCCCCCCCC(=O)OC(C)COC(C)COC
InChIInChI=1S/C16H32O4/c1-5-6-7-8-9-10-11-16(17)20-15(3)13-19-14(2)12-18-4/h14-15H,5-13H2,1-4H3
InChIKeyBRPKGDJYNHVTCZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.72
Rot. Bonds13

About 1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate

1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate (PubChem CID 91732580) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate
PubChem CID91732580
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate
SMILESCCCCCCCCC(=O)OC(C)COC(C)COC
InChIInChI=1S/C16H32O4/c1-5-6-7-8-9-10-11-16(17)20-15(3)13-19-14(2)12-18-4/h14-15H,5-13H2,1-4H3
InChIKeyBRPKGDJYNHVTCZ-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate 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-methoxypropan-2-yl icosanoate
CID 91752077
1-propoxypropan-2-yl nonanoate
CID 91699050
2-nonadecanoyloxypropyl nonadecanoate
CID 13161520
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
1-[(2-methylpropan-2-yl)oxy]propan-2-yl nonanoate
CID 91693532
1-[1-[3-(2-hydroxypropoxy)-2,2-bis(2-hydroxypropoxymethyl)propoxy]propan-2-yloxy]propan-2-yl octadecanoate
CID 130231028
2-(2-butoxypropoxy)propyl octadecanoate
CID 87698050
4-hexadecanoyloxypentan-2-yl octadecanoate
CID 86056824
bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate
CID 131978337

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate (CID 91732580) is 1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate is CCCCCCCCC(=O)OC(C)COC(C)COC.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate?
The InChIKey is BRPKGDJYNHVTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-5-6-7-8-9-10-11-16(17)20-15(3)13-19-14(2)12-18-4/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate?
1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate has a molecular weight of 288.43 g/mol, XLogP of 3.72, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate is sourced from PubChem (CID 91732580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).