3-[(2R)-oxolan-2-yl]propyl nonanoate

C16H30O3 — CID 98549345

IUPAC3-[(2R)-oxolan-2-yl]propyl nonanoate
SMILESCCCCCCCCC(=O)OCCC[C@H]1CCCO1
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-12-16(17)19-14-9-11-15-10-8-13-18-15/h15H,2-14H2,1H3/t15-/m1/s1
InChIKeyLFKPWNSEZVIRRF-OAHLLOKOSA-N
MW270.41 g/mol
LogP4.24
Rot. Bonds11

About 3-[(2R)-oxolan-2-yl]propyl nonanoate

3-[(2R)-oxolan-2-yl]propyl nonanoate (PubChem CID 98549345) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 3-[(2R)-oxolan-2-yl]propyl nonanoate.

Molecular Properties

Compound Name3-[(2R)-oxolan-2-yl]propyl nonanoate
PubChem CID98549345
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name3-[(2R)-oxolan-2-yl]propyl nonanoate
SMILESCCCCCCCCC(=O)OCCC[C@H]1CCCO1
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-12-16(17)19-14-9-11-15-10-8-13-18-15/h15H,2-14H2,1H3/t15-/m1/s1
InChIKeyLFKPWNSEZVIRRF-OAHLLOKOSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.24
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-[(2S)-oxolan-2-yl]propyl octanoate
CID 98092335
hexyl 3-(oxolan-2-yl)propanoate
CID 78876896
1-O-heptyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695874
1-O-hexyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695857
propyl 4-(oxan-2-yl)butanoate
CID 142409064
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
hexyl 2-(oxolan-2-yl)acetate
CID 78876080
hexyl 7-(oxiran-2-yl)heptanoate
CID 170189676
1,5-bis[(2S)-oxolan-2-yl]pentan-3-yl dodecanoate
CID 98506341
2-tetradecyloxolane
CID 10683364
butyl hexadecanoate;oxirane
CID 174596591
5-cyclopropylpentyl tetradecanoate
CID 21445891

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-oxolan-2-yl]propyl nonanoate?
The IUPAC name of 3-[(2R)-oxolan-2-yl]propyl nonanoate (CID 98549345) is 3-[(2R)-oxolan-2-yl]propyl nonanoate.
What is the SMILES notation for 3-[(2R)-oxolan-2-yl]propyl nonanoate?
The canonical SMILES for 3-[(2R)-oxolan-2-yl]propyl nonanoate is CCCCCCCCC(=O)OCCC[C@H]1CCCO1.
What is the InChIKey of 3-[(2R)-oxolan-2-yl]propyl nonanoate?
The InChIKey is LFKPWNSEZVIRRF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H30O3/c1-2-3-4-5-6-7-12-16(17)19-14-9-11-15-10-8-13-18-15/h15H,2-14H2,1H3/t15-/m1/s1.
What are the key properties of 3-[(2R)-oxolan-2-yl]propyl nonanoate?
3-[(2R)-oxolan-2-yl]propyl nonanoate has a molecular weight of 270.41 g/mol, XLogP of 4.24, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-oxolan-2-yl]propyl nonanoate is sourced from PubChem (CID 98549345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).