1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone

C15H24O2 — CID 11687317

IUPAC1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone
SMILESC=CC[C@@H]1CC[C@@H](C(C)=O)C2(CCCCC2)O1
InChIInChI=1S/C15H24O2/c1-3-7-13-8-9-14(12(2)16)15(17-13)10-5-4-6-11-15/h3,13-14H,1,4-11H2,2H3/t13-,14+/m1/s1
InChIKeyOUAOTPYXNZXQGK-KGLIPLIRSA-N
MW236.35 g/mol
LogP3.65
Rot. Bonds3

About 1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone

1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone (PubChem CID 11687317) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone
PubChem CID11687317
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone
SMILESC=CC[C@@H]1CC[C@@H](C(C)=O)C2(CCCCC2)O1
InChIInChI=1S/C15H24O2/c1-3-7-13-8-9-14(12(2)16)15(17-13)10-5-4-6-11-15/h3,13-14H,1,4-11H2,2H3/t13-,14+/m1/s1
InChIKeyOUAOTPYXNZXQGK-KGLIPLIRSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.65
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

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CID 9794332
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CID 11344852
1-[(2S,3R,6S)-2-(2-methylpropyl)-6-prop-2-enyloxan-3-yl]ethanone
CID 101377745
1-[(2S,3R,6S)-2-hexyl-6-prop-2-enyloxan-3-yl]ethanone
CID 135067487
6-But-3-enyl-3-(4-ethylcyclohexyl)oxan-2-one
CID 57938114
3-(4-Ethenylcyclohexyl)-6-pentyloxan-2-one
CID 57938171
1-[(2S,6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-yl]hept-6-en-2-one
CID 58932905
1-(8-Methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-yl)hept-6-en-2-one
CID 59012160
(3R,5R,6S)-3,5-dimethyl-6-[(2S)-pent-4-en-2-yl]oxane-2,4-dione
CID 59891851
(5R,6S)-3,5-dimethyl-6-[(2S)-pent-4-en-2-yl]oxane-2,4-dione
CID 59891888
5-(2,7,8-Trimethyl-3,4,4a,7,8,8a-hexahydrochromen-2-yl)pentan-2-one
CID 91262679
3,5-dimethyl-6-[(2S)-pent-4-en-2-yl]oxane-2,4-dione
CID 142114728

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone?
The IUPAC name of 1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone (CID 11687317) is 1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone.
What is the SMILES notation for 1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone?
The canonical SMILES for 1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone is C=CC[C@@H]1CC[C@@H](C(C)=O)C2(CCCCC2)O1.
What is the InChIKey of 1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone?
The InChIKey is OUAOTPYXNZXQGK-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-7-13-8-9-14(12(2)16)15(17-13)10-5-4-6-11-15/h3,13-14H,1,4-11H2,2H3/t13-,14+/m1/s1.
What are the key properties of 1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone?
1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone has a molecular weight of 236.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-2-prop-2-enyl-1-oxaspiro[5.5]undecan-5-yl]ethanone is sourced from PubChem (CID 11687317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).