(1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one

C11H16O2 — CID 10821251

IUPAC(1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one
SMILESC=C1C[C@H]2CCC[C@@](C)(C1)OC2=O
InChIInChI=1S/C11H16O2/c1-8-6-9-4-3-5-11(2,7-8)13-10(9)12/h9H,1,3-7H2,2H3/t9-,11+/m1/s1
InChIKeyCECYOFQGSKZLRO-KOLCDFICSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds

About (1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one

(1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one (PubChem CID 10821251) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name(1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one
PubChem CID10821251
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one
SMILESC=C1C[C@H]2CCC[C@@](C)(C1)OC2=O
InChIInChI=1S/C11H16O2/c1-8-6-9-4-3-5-11(2,7-8)13-10(9)12/h9H,1,3-7H2,2H3/t9-,11+/m1/s1
InChIKeyCECYOFQGSKZLRO-KOLCDFICSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
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

(1S,7R)-9-methylidenebicyclo[5.3.1]undecan-11-one
CID 10678899
4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene
CID 158405680
(1S,5R,9R)-7-methylidenetricyclo[7.2.1.01,5]dodecan-12-one
CID 102595372
3a-methyl-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-azulen-4-one
CID 130031618
(3aS,4R,7aR)-7a-hydroxy-3a,4-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 25214033
4-methyl-7-oxabicyclo[2.2.1]heptan-2-one
CID 72814695
3,6-dimethyl-6-propan-2-yloxan-2-one
CID 140976692
9-methyl-4-oxatricyclo[4.4.1.13,9]dodecan-5-one
CID 59832837
(1R,9S)-5,5-dimethyl-9-(propan-2-ylamino)-8-oxatricyclo[7.3.1.02,7]tridec-2(7)-en-3-one
CID 7160133
1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane
CID 45120317
1-methyl-9-oxabicyclo[3.3.1]nonane
CID 54377321
5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 119053641

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one?
The IUPAC name of (1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one (CID 10821251) is (1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for (1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one?
The canonical SMILES for (1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one is C=C1C[C@H]2CCC[C@@](C)(C1)OC2=O.
What is the InChIKey of (1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one?
The InChIKey is CECYOFQGSKZLRO-KOLCDFICSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-6-9-4-3-5-11(2,7-8)13-10(9)12/h9H,1,3-7H2,2H3/t9-,11+/m1/s1.
What are the key properties of (1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one?
(1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one has a molecular weight of 180.25 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-methyl-3-methylidene-9-oxabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 10821251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).