1-(oxolan-2-yl)hept-6-en-3-one

C11H18O2 — CID 114974959

IUPAC1-(oxolan-2-yl)hept-6-en-3-one
SMILESC=CCCC(=O)CCC1CCCO1
InChIInChI=1S/C11H18O2/c1-2-3-5-10(12)7-8-11-6-4-9-13-11/h2,11H,1,3-9H2
InChIKeyOYWBTBWSCBRTKH-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.48
Rot. Bonds6

About 1-(oxolan-2-yl)hept-6-en-3-one

1-(oxolan-2-yl)hept-6-en-3-one (PubChem CID 114974959) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(oxolan-2-yl)hept-6-en-3-one.

Molecular Properties

Compound Name1-(oxolan-2-yl)hept-6-en-3-one
PubChem CID114974959
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(oxolan-2-yl)hept-6-en-3-one
SMILESC=CCCC(=O)CCC1CCCO1
InChIInChI=1S/C11H18O2/c1-2-3-5-10(12)7-8-11-6-4-9-13-11/h2,11H,1,3-9H2
InChIKeyOYWBTBWSCBRTKH-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(oxolan-2-yl)hept-1-en-4-one
CID 116659572
1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
CID 116561140
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
1-[(2S)-oxolan-2-yl]pent-4-en-1-one
CID 129365967
2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
1-(oxan-2-yl)hex-5-yn-3-one
CID 114962049
1-(oxan-2-yl)hept-5-yn-3-one
CID 114964990
5-(oxolan-2-yl)pent-1-en-3-ol
CID 115814822
1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one
CID 116579013
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one
CID 116564211

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)hept-6-en-3-one?
The IUPAC name of 1-(oxolan-2-yl)hept-6-en-3-one (CID 114974959) is 1-(oxolan-2-yl)hept-6-en-3-one.
What is the SMILES notation for 1-(oxolan-2-yl)hept-6-en-3-one?
The canonical SMILES for 1-(oxolan-2-yl)hept-6-en-3-one is C=CCCC(=O)CCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)hept-6-en-3-one?
The InChIKey is OYWBTBWSCBRTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-5-10(12)7-8-11-6-4-9-13-11/h2,11H,1,3-9H2.
What are the key properties of 1-(oxolan-2-yl)hept-6-en-3-one?
1-(oxolan-2-yl)hept-6-en-3-one has a molecular weight of 182.26 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)hept-6-en-3-one is sourced from PubChem (CID 114974959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).