[(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate

C16H26O3 — CID 14891633

IUPAC[(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
SMILESCCCCC[C@@H]1C=C(OC(C)=O)C2(CCCCC2)O1
InChIInChI=1S/C16H26O3/c1-3-4-6-9-14-12-15(18-13(2)17)16(19-14)10-7-5-8-11-16/h12,14H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyDEGPVGHOGYDRQP-CQSZACIVSA-N
MW266.38 g/mol
LogP4.12
Rot. Bonds5

About [(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate

[(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate (PubChem CID 14891633) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is [(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate.

Molecular Properties

Compound Name[(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
PubChem CID14891633
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name[(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
SMILESCCCCC[C@@H]1C=C(OC(C)=O)C2(CCCCC2)O1
InChIInChI=1S/C16H26O3/c1-3-4-6-9-14-12-15(18-13(2)17)16(19-14)10-7-5-8-11-16/h12,14H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyDEGPVGHOGYDRQP-CQSZACIVSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.12
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

4-Methoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 581148
4-Ethoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 13209948
[(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
CID 13146631
4-Methoxy-1-oxaspiro[4.5]dec-3-ene
CID 13300108
[(2R)-5,5-dimethyl-2-pentyl-2H-furan-4-yl] acetate
CID 14891636
(2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate
CID 102183559
[(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate
CID 102186232
4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one
CID 10868648
4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one
CID 11010380
4-[(E)-pent-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one
CID 11064401
Rac-5-(2-cyclohexyl-ethyl)-4-methoxy-5h-furan-2-one
CID 69069591
5-cyclohexylmethyl-4-methoxy-5H-furan-2-one
CID 69135163

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate?
The IUPAC name of [(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate (CID 14891633) is [(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate.
What is the SMILES notation for [(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate?
The canonical SMILES for [(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate is CCCCC[C@@H]1C=C(OC(C)=O)C2(CCCCC2)O1.
What is the InChIKey of [(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate?
The InChIKey is DEGPVGHOGYDRQP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-4-6-9-14-12-15(18-13(2)17)16(19-14)10-7-5-8-11-16/h12,14H,3-11H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate?
[(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate has a molecular weight of 266.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate is sourced from PubChem (CID 14891633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).