(5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one

C9H12O2 — CID 45082979

IUPAC(5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one
SMILESC=C[C@H]1CC(=O)C(=C(C)C)O1
InChIInChI=1S/C9H12O2/c1-4-7-5-8(10)9(11-7)6(2)3/h4,7H,1,5H2,2-3H3/t7-/m0/s1
InChIKeyOEWJGGFVNWGWEV-ZETCQYMHSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds1

About (5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one

(5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one (PubChem CID 45082979) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one.

Molecular Properties

Compound Name(5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one
PubChem CID45082979
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one
SMILESC=C[C@H]1CC(=O)C(=C(C)C)O1
InChIInChI=1S/C9H12O2/c1-4-7-5-8(10)9(11-7)6(2)3/h4,7H,1,5H2,2-3H3/t7-/m0/s1
InChIKeyOEWJGGFVNWGWEV-ZETCQYMHSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

3-methyl-2-[(2R)-3-methylbut-3-en-2-yl]oxycyclopent-2-en-1-one
CID 15536114
3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one
CID 101049557
(2E,5R)-5-ethenyl-2-propylideneoxolan-3-one
CID 101370227
(2Z,5R)-5-ethenyl-2-propylideneoxolan-3-one
CID 131858214
(4E)-4-ethylidene-2,5-dimethyloxolan-3-one
CID 20566149
4-Ethylidene-2,5-dimethyloxolan-3-one
CID 53672337
2,5-Dimethyl-4-(2-methylpropylidene)oxolan-3-one
CID 53979158
5-(2,3-Dimethylbut-1-enyl)oxolan-3-one
CID 140006383
5-Prop-1-enyloxolan-3-one
CID 140006432
5-(3-Methylbut-1-enyl)oxolan-3-one
CID 140006436
(4R)-2-methyl-4-[(Z)-prop-1-enoxy]cyclopent-2-en-1-one
CID 145548376
2-Cyclopenten-1-one, 3-methyl-2-(2-propenyloxy)-
CID 11228901

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one?
The IUPAC name of (5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one (CID 45082979) is (5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one.
What is the SMILES notation for (5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one?
The canonical SMILES for (5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one is C=C[C@H]1CC(=O)C(=C(C)C)O1.
What is the InChIKey of (5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one?
The InChIKey is OEWJGGFVNWGWEV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-7-5-8(10)9(11-7)6(2)3/h4,7H,1,5H2,2-3H3/t7-/m0/s1.
What are the key properties of (5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one?
(5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one has a molecular weight of 152.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethenyl-2-propan-2-ylideneoxolan-3-one is sourced from PubChem (CID 45082979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).