5-(2-hydroxyheptyl)oxolan-2-one

C11H20O3 — CID 56936044

IUPAC5-(2-hydroxyheptyl)oxolan-2-one
SMILESCCCCCC(O)CC1CCC(=O)O1
InChIInChI=1S/C11H20O3/c1-2-3-4-5-9(12)8-10-6-7-11(13)14-10/h9-10,12H,2-8H2,1H3
InChIKeyGNPDQWWIALTIDQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.02
Rot. Bonds6

About 5-(2-hydroxyheptyl)oxolan-2-one

5-(2-hydroxyheptyl)oxolan-2-one (PubChem CID 56936044) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(2-hydroxyheptyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2-hydroxyheptyl)oxolan-2-one
PubChem CID56936044
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-(2-hydroxyheptyl)oxolan-2-one
SMILESCCCCCC(O)CC1CCC(=O)O1
InChIInChI=1S/C11H20O3/c1-2-3-4-5-9(12)8-10-6-7-11(13)14-10/h9-10,12H,2-8H2,1H3
InChIKeyGNPDQWWIALTIDQ-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(2-hydroxyheptyl)oxolan-2-one?
The IUPAC name of 5-(2-hydroxyheptyl)oxolan-2-one (CID 56936044) is 5-(2-hydroxyheptyl)oxolan-2-one.
What is the SMILES notation for 5-(2-hydroxyheptyl)oxolan-2-one?
The canonical SMILES for 5-(2-hydroxyheptyl)oxolan-2-one is CCCCCC(O)CC1CCC(=O)O1.
What is the InChIKey of 5-(2-hydroxyheptyl)oxolan-2-one?
The InChIKey is GNPDQWWIALTIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-3-4-5-9(12)8-10-6-7-11(13)14-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 5-(2-hydroxyheptyl)oxolan-2-one?
5-(2-hydroxyheptyl)oxolan-2-one has a molecular weight of 200.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyheptyl)oxolan-2-one is sourced from PubChem (CID 56936044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).