5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one

C10H16O2 — CID 6437259

IUPAC5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one
SMILESC/C(=C/C(C)C)C1CCC(=O)O1
InChIInChI=1S/C10H16O2/c1-7(2)6-8(3)9-4-5-10(11)12-9/h6-7,9H,4-5H2,1-3H3/b8-6-
InChIKeyFXCKJKMSFIQXFM-VURMDHGXSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About 5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one

5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one (PubChem CID 6437259) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one.

Molecular Properties

Compound Name5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one
PubChem CID6437259
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one
SMILESC/C(=C/C(C)C)C1CCC(=O)O1
InChIInChI=1S/C10H16O2/c1-7(2)6-8(3)9-4-5-10(11)12-9/h6-7,9H,4-5H2,1-3H3/b8-6-
InChIKeyFXCKJKMSFIQXFM-VURMDHGXSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
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

Geranyl hexanoate
CID 5365992
Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-
CID 12571389
(3S,3aS,6E,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 6475829
Marmelolactone A
CID 101282726
Marmelolactone B
CID 101282733
Japonilure
CID 6435920
Trans-eldanolide
CID 11008321
(3E,5S)-5-(2-methylprop-1-enyl)-3-(4-oxopentylidene)tetrahydrofuran-2-one
CID 44179793
Dihydrocostunolide
CID 5367639
(e)-Dodec-5-en-4-olide
CID 18466382
Buibuilactone
CID 56936043
CID 6917068
CID 6917068

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one?
The IUPAC name of 5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one (CID 6437259) is 5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one.
What is the SMILES notation for 5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one?
The canonical SMILES for 5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one is C/C(=C/C(C)C)C1CCC(=O)O1.
What is the InChIKey of 5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one?
The InChIKey is FXCKJKMSFIQXFM-VURMDHGXSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)6-8(3)9-4-5-10(11)12-9/h6-7,9H,4-5H2,1-3H3/b8-6-.
What are the key properties of 5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one?
5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-4-methylpent-2-en-2-yl]oxolan-2-one is sourced from PubChem (CID 6437259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).