5-(oxolan-2-yl)hex-5-en-2-one

C10H16O2 — CID 11789604

IUPAC5-(oxolan-2-yl)hex-5-en-2-one
SMILESC=C(CCC(C)=O)C1CCCO1
InChIInChI=1S/C10H16O2/c1-8(5-6-9(2)11)10-4-3-7-12-10/h10H,1,3-7H2,2H3
InChIKeyHTEDJXZMKIIBAO-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds4

About 5-(oxolan-2-yl)hex-5-en-2-one

5-(oxolan-2-yl)hex-5-en-2-one (PubChem CID 11789604) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(oxolan-2-yl)hex-5-en-2-one.

Molecular Properties

Compound Name5-(oxolan-2-yl)hex-5-en-2-one
PubChem CID11789604
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-(oxolan-2-yl)hex-5-en-2-one
SMILESC=C(CCC(C)=O)C1CCCO1
InChIInChI=1S/C10H16O2/c1-8(5-6-9(2)11)10-4-3-7-12-10/h10H,1,3-7H2,2H3
InChIKeyHTEDJXZMKIIBAO-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
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

3-(5-Methyl-4-methylideneoxolan-2-yl)propanal
CID 18716214
6-Octoxyoct-7-en-2-one
CID 85965226
3-[(2S,5S)-4-methylidene-5-propyloxolan-2-yl]propanal
CID 90324107
3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal
CID 90324109
7-(Methoxymethyl)oct-7-en-2-one
CID 90464295
2-Methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995
3-[(2S,5S)-5-butyl-3-methylideneoxolan-2-yl]propanal
CID 117711383
3-[(2S,5S)-5-methyl-4-methylideneoxolan-2-yl]propanal
CID 117943205
3-[5-(3-Ethoxypropyl)-3-methylideneoxolan-2-yl]propanal
CID 123745309
3-[(2S,5S)-3-methylidene-5-(4-oxo-4-phosphanylbutyl)oxolan-2-yl]propanal
CID 130313428
3-(4-Methylidene-5-propyloxolan-2-yl)propanal
CID 139309682
(2R)-4-methylidene-5-propyloxolane-2-carbaldehyde
CID 142619415

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)hex-5-en-2-one?
The IUPAC name of 5-(oxolan-2-yl)hex-5-en-2-one (CID 11789604) is 5-(oxolan-2-yl)hex-5-en-2-one.
What is the SMILES notation for 5-(oxolan-2-yl)hex-5-en-2-one?
The canonical SMILES for 5-(oxolan-2-yl)hex-5-en-2-one is C=C(CCC(C)=O)C1CCCO1.
What is the InChIKey of 5-(oxolan-2-yl)hex-5-en-2-one?
The InChIKey is HTEDJXZMKIIBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(5-6-9(2)11)10-4-3-7-12-10/h10H,1,3-7H2,2H3.
What are the key properties of 5-(oxolan-2-yl)hex-5-en-2-one?
5-(oxolan-2-yl)hex-5-en-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)hex-5-en-2-one is sourced from PubChem (CID 11789604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).