(5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one

C13H20O2 — CID 14238977

IUPAC(5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one
SMILESCC(C)=C1CC[C@]2(C1)C(=O)OCC[C@H]2C
InChIInChI=1S/C13H20O2/c1-9(2)11-4-6-13(8-11)10(3)5-7-15-12(13)14/h10H,4-8H2,1-3H3/t10-,13-/m1/s1
InChIKeyNCXWXNLXFUBYBR-ZWNOBZJWSA-N
MW208.30 g/mol
LogP3.08
Rot. Bonds

About (5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one

(5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one (PubChem CID 14238977) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one
PubChem CID14238977
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one
SMILESCC(C)=C1CC[C@]2(C1)C(=O)OCC[C@H]2C
InChIInChI=1S/C13H20O2/c1-9(2)11-4-6-13(8-11)10(3)5-7-15-12(13)14/h10H,4-8H2,1-3H3/t10-,13-/m1/s1
InChIKeyNCXWXNLXFUBYBR-ZWNOBZJWSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.08
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 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
CID 166500
2-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
CID 20236378
Ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate
CID 68723801
Methyl 7-methylspiro[4.5]dec-7-ene-6-carboxylate
CID 68724110
Ethyl 9-methylidenespiro[4.5]dec-7-ene-10-carboxylate
CID 68724965
rel-(6S,7S)-ethyl 7-methylspiro[4.5]dec-9-ene-6-carboxylate
CID 68769890
ethyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate
CID 68774738
ethyl (9S,10R)-9-methylspiro[4.5]dec-6-ene-10-carboxylate
CID 91536775
Ethyl 2-(3,5,5-trimethylcyclohex-2-en-1-yl)propanoate
CID 177719961
2-(2,6,6-Trimethyl-5-oxocyclohexen-1-yl)ethyl acetate
CID 10911196
butyl (1R,6R)-6-butyl-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 13465313
Ethyl 4-butylspiro[4.5]deca-3,6-diene-1-carboxylate
CID 14116199

Frequently Asked Questions

What is the IUPAC name of (5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one?
The IUPAC name of (5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one (CID 14238977) is (5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one?
The canonical SMILES for (5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one is CC(C)=C1CC[C@]2(C1)C(=O)OCC[C@H]2C.
What is the InChIKey of (5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one?
The InChIKey is NCXWXNLXFUBYBR-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)11-4-6-13(8-11)10(3)5-7-15-12(13)14/h10H,4-8H2,1-3H3/t10-,13-/m1/s1.
What are the key properties of (5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one?
(5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one has a molecular weight of 208.30 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-10-methyl-3-propan-2-ylidene-7-oxaspiro[4.5]decan-6-one is sourced from PubChem (CID 14238977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).