5-(oxan-2-yl)pentyl acetate

C12H22O3 — CID 66871710

IUPAC5-(oxan-2-yl)pentyl acetate
SMILESCC(=O)OCCCCCC1CCCCO1
InChIInChI=1S/C12H22O3/c1-11(13)14-9-5-2-3-7-12-8-4-6-10-15-12/h12H,2-10H2,1H3
InChIKeyYNKFMVUZLGWFNT-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.68
Rot. Bonds6

About 5-(oxan-2-yl)pentyl acetate

5-(oxan-2-yl)pentyl acetate (PubChem CID 66871710) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 5-(oxan-2-yl)pentyl acetate.

Molecular Properties

Compound Name5-(oxan-2-yl)pentyl acetate
PubChem CID66871710
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name5-(oxan-2-yl)pentyl acetate
SMILESCC(=O)OCCCCCC1CCCCO1
InChIInChI=1S/C12H22O3/c1-11(13)14-9-5-2-3-7-12-8-4-6-10-15-12/h12H,2-10H2,1H3
InChIKeyYNKFMVUZLGWFNT-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.68
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

6-(1,3-dioxan-2-yl)hexyl acetate
CID 13162578
propyl 4-(oxan-2-yl)butanoate
CID 142409064
hexyl 3-(oxolan-2-yl)propanoate
CID 78876896
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
3-[(2S)-oxolan-2-yl]propyl octanoate
CID 98092335
3-[(2R)-oxolan-2-yl]propyl nonanoate
CID 98549345
hexyl oxan-2-ylmethyl carbonate
CID 67045710
5-(oxolan-2-yl)pentanamide
CID 67128385
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
7-(oxolan-2-yl)heptanoic acid
CID 174977398
hexyl 2-(oxolan-2-yl)acetate
CID 78876080
[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate
CID 145163009

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yl)pentyl acetate?
The IUPAC name of 5-(oxan-2-yl)pentyl acetate (CID 66871710) is 5-(oxan-2-yl)pentyl acetate.
What is the SMILES notation for 5-(oxan-2-yl)pentyl acetate?
The canonical SMILES for 5-(oxan-2-yl)pentyl acetate is CC(=O)OCCCCCC1CCCCO1.
What is the InChIKey of 5-(oxan-2-yl)pentyl acetate?
The InChIKey is YNKFMVUZLGWFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(13)14-9-5-2-3-7-12-8-4-6-10-15-12/h12H,2-10H2,1H3.
What are the key properties of 5-(oxan-2-yl)pentyl acetate?
5-(oxan-2-yl)pentyl acetate has a molecular weight of 214.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yl)pentyl acetate is sourced from PubChem (CID 66871710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).