(5R)-4-methylidene-5-propyloxan-2-one

C9H14O2 — CID 153273637

IUPAC(5R)-4-methylidene-5-propyloxan-2-one
SMILESC=C1CC(=O)OC[C@@H]1CCC
InChIInChI=1S/C9H14O2/c1-3-4-8-6-11-9(10)5-7(8)2/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyWXPUPZQHPTVULI-QMMMGPOBSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds2

About (5R)-4-methylidene-5-propyloxan-2-one

(5R)-4-methylidene-5-propyloxan-2-one (PubChem CID 153273637) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5R)-4-methylidene-5-propyloxan-2-one.

Molecular Properties

Compound Name(5R)-4-methylidene-5-propyloxan-2-one
PubChem CID153273637
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5R)-4-methylidene-5-propyloxan-2-one
SMILESC=C1CC(=O)OC[C@@H]1CCC
InChIInChI=1S/C9H14O2/c1-3-4-8-6-11-9(10)5-7(8)2/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyWXPUPZQHPTVULI-QMMMGPOBSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
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 4-methylidenecyclohexane-1-carboxylate
CID 15151435
Methyl 3-methylidenecyclohexane-1-carboxylate
CID 85855833
(3S,6S)-6-isopropenyl-3-methyloxepan-2-one
CID 443169
(3S,6R)-6-isopropenyl-3-methyloxepan-2-one
CID 443187
(3R,6S)-6-isopropenyl-3-methyloxepan-2-one
CID 25201860
6-Isopropenyl-3-methyloxepan-2-one
CID 4488497
Ethyl (2-methylidenecyclohexyl)acetate
CID 12679490
Butyl (3S)-3-methyl-7-octenoate
CID 46910864
Ethyl 2-(4-methylenecyclohexyl)acetate
CID 11095257
Methyl 2-(2-methylidenecyclopentyl)acetate
CID 11116269
Ethyl 3-methylidenecyclohexane-1-carboxylate
CID 11819423
Ethyl 1-fluoro-4-methylenecyclohexanecarboxylate
CID 86731500

Frequently Asked Questions

What is the IUPAC name of (5R)-4-methylidene-5-propyloxan-2-one?
The IUPAC name of (5R)-4-methylidene-5-propyloxan-2-one (CID 153273637) is (5R)-4-methylidene-5-propyloxan-2-one.
What is the SMILES notation for (5R)-4-methylidene-5-propyloxan-2-one?
The canonical SMILES for (5R)-4-methylidene-5-propyloxan-2-one is C=C1CC(=O)OC[C@@H]1CCC.
What is the InChIKey of (5R)-4-methylidene-5-propyloxan-2-one?
The InChIKey is WXPUPZQHPTVULI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-8-6-11-9(10)5-7(8)2/h8H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (5R)-4-methylidene-5-propyloxan-2-one?
(5R)-4-methylidene-5-propyloxan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-methylidene-5-propyloxan-2-one is sourced from PubChem (CID 153273637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).