(3R)-5-methyl-3-pentyloxolan-2-one

C10H18O2 — CID 89288605

IUPAC(3R)-5-methyl-3-pentyloxolan-2-one
SMILESCCCCC[C@@H]1CC(C)OC1=O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-9-7-8(2)12-10(9)11/h8-9H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyFYMCVWIOVWCVFX-YGPZHTELSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds4

About (3R)-5-methyl-3-pentyloxolan-2-one

(3R)-5-methyl-3-pentyloxolan-2-one (PubChem CID 89288605) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R)-5-methyl-3-pentyloxolan-2-one.

Molecular Properties

Compound Name(3R)-5-methyl-3-pentyloxolan-2-one
PubChem CID89288605
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R)-5-methyl-3-pentyloxolan-2-one
SMILESCCCCC[C@@H]1CC(C)OC1=O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-9-7-8(2)12-10(9)11/h8-9H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyFYMCVWIOVWCVFX-YGPZHTELSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-3-pentyloxolan-2-one?
The IUPAC name of (3R)-5-methyl-3-pentyloxolan-2-one (CID 89288605) is (3R)-5-methyl-3-pentyloxolan-2-one.
What is the SMILES notation for (3R)-5-methyl-3-pentyloxolan-2-one?
The canonical SMILES for (3R)-5-methyl-3-pentyloxolan-2-one is CCCCC[C@@H]1CC(C)OC1=O.
What is the InChIKey of (3R)-5-methyl-3-pentyloxolan-2-one?
The InChIKey is FYMCVWIOVWCVFX-YGPZHTELSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-9-7-8(2)12-10(9)11/h8-9H,3-7H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (3R)-5-methyl-3-pentyloxolan-2-one?
(3R)-5-methyl-3-pentyloxolan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-3-pentyloxolan-2-one is sourced from PubChem (CID 89288605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).