5-hept-2-enyl-5-methyloxolan-2-one

C12H20O2 — CID 70541383

IUPAC5-hept-2-enyl-5-methyloxolan-2-one
SMILESCCCCC=CCC1(C)CCC(=O)O1
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-9-12(2)10-8-11(13)14-12/h6-7H,3-5,8-10H2,1-2H3
InChIKeyKOXQIZFEEGINSA-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds5

About 5-hept-2-enyl-5-methyloxolan-2-one

5-hept-2-enyl-5-methyloxolan-2-one (PubChem CID 70541383) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-hept-2-enyl-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-hept-2-enyl-5-methyloxolan-2-one
PubChem CID70541383
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-hept-2-enyl-5-methyloxolan-2-one
SMILESCCCCC=CCC1(C)CCC(=O)O1
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-9-12(2)10-8-11(13)14-12/h6-7H,3-5,8-10H2,1-2H3
InChIKeyKOXQIZFEEGINSA-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hept-2-enyl-5-methyloxolan-2-one?
The IUPAC name of 5-hept-2-enyl-5-methyloxolan-2-one (CID 70541383) is 5-hept-2-enyl-5-methyloxolan-2-one.
What is the SMILES notation for 5-hept-2-enyl-5-methyloxolan-2-one?
The canonical SMILES for 5-hept-2-enyl-5-methyloxolan-2-one is CCCCC=CCC1(C)CCC(=O)O1.
What is the InChIKey of 5-hept-2-enyl-5-methyloxolan-2-one?
The InChIKey is KOXQIZFEEGINSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-5-6-7-9-12(2)10-8-11(13)14-12/h6-7H,3-5,8-10H2,1-2H3.
What are the key properties of 5-hept-2-enyl-5-methyloxolan-2-one?
5-hept-2-enyl-5-methyloxolan-2-one has a molecular weight of 196.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hept-2-enyl-5-methyloxolan-2-one is sourced from PubChem (CID 70541383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).