[(2R)-tridec-10-en-2-yl] acetate

C15H28O2 — CID 173369884

IUPAC[(2R)-tridec-10-en-2-yl] acetate
SMILESCCC=CCCCCCCC[C@@H](C)OC(C)=O
InChIInChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h5-6,14H,4,7-13H2,1-3H3/t14-/m1/s1
InChIKeyODYRZHQNAYMELI-CQSZACIVSA-N
MW240.39 g/mol
LogP4.63
Rot. Bonds10

About [(2R)-tridec-10-en-2-yl] acetate

[(2R)-tridec-10-en-2-yl] acetate (PubChem CID 173369884) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(2R)-tridec-10-en-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-tridec-10-en-2-yl] acetate
PubChem CID173369884
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(2R)-tridec-10-en-2-yl] acetate
SMILESCCC=CCCCCCCC[C@@H](C)OC(C)=O
InChIInChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h5-6,14H,4,7-13H2,1-3H3/t14-/m1/s1
InChIKeyODYRZHQNAYMELI-CQSZACIVSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z,2R)-heptadec-8-en-2-yl] acetate
CID 66573257
13-oxoheptadec-10-en-2-yl acetate
CID 76539180
[(2R)-12-oxododecan-2-yl] acetate
CID 102367359
[(2S)-8-oxooctan-2-yl] acetate
CID 72946999
pentacosan-2-yl acetate
CID 173416941
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
6-oxohexan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 11257396
14-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid
CID 134748574
(E)-undec-8-en-2-ol
CID 118316981
hexan-2-yl acetate;methane
CID 159910641
6-hydroxyhexan-2-yl acetate
CID 15812148
icos-13-en-10-yl acetate
CID 175361590

Frequently Asked Questions

What is the IUPAC name of [(2R)-tridec-10-en-2-yl] acetate?
The IUPAC name of [(2R)-tridec-10-en-2-yl] acetate (CID 173369884) is [(2R)-tridec-10-en-2-yl] acetate.
What is the SMILES notation for [(2R)-tridec-10-en-2-yl] acetate?
The canonical SMILES for [(2R)-tridec-10-en-2-yl] acetate is CCC=CCCCCCCC[C@@H](C)OC(C)=O.
What is the InChIKey of [(2R)-tridec-10-en-2-yl] acetate?
The InChIKey is ODYRZHQNAYMELI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h5-6,14H,4,7-13H2,1-3H3/t14-/m1/s1.
What are the key properties of [(2R)-tridec-10-en-2-yl] acetate?
[(2R)-tridec-10-en-2-yl] acetate has a molecular weight of 240.39 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-tridec-10-en-2-yl] acetate is sourced from PubChem (CID 173369884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).