(1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one

C9H12O2 — CID 177463502

IUPAC(1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one
SMILESC=C[C@H]1CC/C(=C/C(C)=O)O1
InChIInChI=1S/C9H12O2/c1-3-8-4-5-9(11-8)6-7(2)10/h3,6,8H,1,4-5H2,2H3/b9-6-/t8-/m0/s1
InChIKeyAHPDCLANDPTBAC-HWPCKVLBSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds2

About (1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one

(1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one (PubChem CID 177463502) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one.

Molecular Properties

Compound Name(1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one
PubChem CID177463502
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one
SMILESC=C[C@H]1CC/C(=C/C(C)=O)O1
InChIInChI=1S/C9H12O2/c1-3-8-4-5-9(11-8)6-7(2)10/h3,6,8H,1,4-5H2,2H3/b9-6-/t8-/m0/s1
InChIKeyAHPDCLANDPTBAC-HWPCKVLBSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-(5-methyloxolan-2-ylidene)acetate
CID 5387115
ethyl (2E)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 12101794
Allylacetylacetonate
CID 129817470
ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 10877759
ethyl (2E)-2-[5-[(E)-prop-1-enyl]oxolan-2-ylidene]acetate
CID 13624393
ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate
CID 134981199
tert-butyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 10889164
ethyl (2E)-2-(5-methyloxolan-2-ylidene)acetate
CID 12206018
(2E,5R)-5-ethenyl-2-propylideneoxolan-3-one
CID 101370227
(2Z,5R)-5-ethenyl-2-propylideneoxolan-3-one
CID 131858214
tert-butyl (2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]acetate
CID 177466952
4-(Oxolan-2-yl)but-3-en-2-one
CID 13025849

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one?
The IUPAC name of (1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one (CID 177463502) is (1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one.
What is the SMILES notation for (1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one?
The canonical SMILES for (1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one is C=C[C@H]1CC/C(=C/C(C)=O)O1.
What is the InChIKey of (1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one?
The InChIKey is AHPDCLANDPTBAC-HWPCKVLBSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-8-4-5-9(11-8)6-7(2)10/h3,6,8H,1,4-5H2,2H3/b9-6-/t8-/m0/s1.
What are the key properties of (1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one?
(1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(5R)-5-ethenyloxolan-2-ylidene]propan-2-one is sourced from PubChem (CID 177463502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).