8-prop-2-enyloxocan-2-one

C10H16O2 — CID 100921404

IUPAC8-prop-2-enyloxocan-2-one
SMILESC=CCC1CCCCCC(=O)O1
InChIInChI=1S/C10H16O2/c1-2-6-9-7-4-3-5-8-10(11)12-9/h2,9H,1,3-8H2
InChIKeyZPZNZSCBFBXOAV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds2

About 8-prop-2-enyloxocan-2-one

8-prop-2-enyloxocan-2-one (PubChem CID 100921404) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 8-prop-2-enyloxocan-2-one.

Molecular Properties

Compound Name8-prop-2-enyloxocan-2-one
PubChem CID100921404
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name8-prop-2-enyloxocan-2-one
SMILESC=CCC1CCCCCC(=O)O1
InChIInChI=1S/C10H16O2/c1-2-6-9-7-4-3-5-8-10(11)12-9/h2,9H,1,3-8H2
InChIKeyZPZNZSCBFBXOAV-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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

Ethyl 10-undecenoate
CID 12729
Butyl 10-undecenoate
CID 61027
Ethyl 9-decenoate
CID 522255
Isopropyl undecylenate
CID 79578
Oxacyclohexadecen-2-one, (13E)-
CID 6436339
Ethyl 7-octenoate
CID 544127
Oxacyclohexadec-13-en-2-one, (13Z)-
CID 6537739
2(3H)-Furanone, 5-(6-hepten-1-yl)dihydro-
CID 86055585
(E)-oxacyclotridec-10-en-2-one
CID 10878079
Butyl dec-9-enoate
CID 17825102
9-Decen-5-olide
CID 21885377
Propyl undec-10-enoate
CID 548339

Frequently Asked Questions

What is the IUPAC name of 8-prop-2-enyloxocan-2-one?
The IUPAC name of 8-prop-2-enyloxocan-2-one (CID 100921404) is 8-prop-2-enyloxocan-2-one.
What is the SMILES notation for 8-prop-2-enyloxocan-2-one?
The canonical SMILES for 8-prop-2-enyloxocan-2-one is C=CCC1CCCCCC(=O)O1.
What is the InChIKey of 8-prop-2-enyloxocan-2-one?
The InChIKey is ZPZNZSCBFBXOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-6-9-7-4-3-5-8-10(11)12-9/h2,9H,1,3-8H2.
What are the key properties of 8-prop-2-enyloxocan-2-one?
8-prop-2-enyloxocan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enyloxocan-2-one is sourced from PubChem (CID 100921404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).