1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone

C13H22O2 — CID 166797170

IUPAC1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone
SMILESC=C(CCC)CC1CC[C@H](C(C)=O)OC1
InChIInChI=1S/C13H22O2/c1-4-5-10(2)8-12-6-7-13(11(3)14)15-9-12/h12-13H,2,4-9H2,1,3H3/t12?,13-/m1/s1
InChIKeyUNOVXALWESZWRZ-ZGTCLIOFSA-N
MW210.32 g/mol
LogP3.12
Rot. Bonds5

About 1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone

1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone (PubChem CID 166797170) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone
PubChem CID166797170
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone
SMILESC=C(CCC)CC1CC[C@H](C(C)=O)OC1
InChIInChI=1S/C13H22O2/c1-4-5-10(2)8-12-6-7-13(11(3)14)15-9-12/h12-13H,2,4-9H2,1,3H3/t12?,13-/m1/s1
InChIKeyUNOVXALWESZWRZ-ZGTCLIOFSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone?
The IUPAC name of 1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone (CID 166797170) is 1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone.
What is the SMILES notation for 1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone?
The canonical SMILES for 1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone is C=C(CCC)CC1CC[C@H](C(C)=O)OC1.
What is the InChIKey of 1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone?
The InChIKey is UNOVXALWESZWRZ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-5-10(2)8-12-6-7-13(11(3)14)15-9-12/h12-13H,2,4-9H2,1,3H3/t12?,13-/m1/s1.
What are the key properties of 1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone?
1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone has a molecular weight of 210.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-(2-methylidenepentyl)oxan-2-yl]ethanone is sourced from PubChem (CID 166797170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).