1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone

C15H24O3S — CID 79912791

IUPAC1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone
SMILESO=C(CC1CCCO1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H24O3S/c16-14(10-13-2-1-6-17-13)12-3-7-18-15(11-12)4-8-19-9-5-15/h12-13H,1-11H2
InChIKeyOXDJGGYWQPNNTC-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.82
Rot. Bonds3

About 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone

1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone (PubChem CID 79912791) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone
PubChem CID79912791
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone
SMILESO=C(CC1CCCO1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H24O3S/c16-14(10-13-2-1-6-17-13)12-3-7-18-15(11-12)4-8-19-9-5-15/h12-13H,1-11H2
InChIKeyOXDJGGYWQPNNTC-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone (CID 79912791) is 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone is O=C(CC1CCCO1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone?
The InChIKey is OXDJGGYWQPNNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c16-14(10-13-2-1-6-17-13)12-3-7-18-15(11-12)4-8-19-9-5-15/h12-13H,1-11H2.
What are the key properties of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone?
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone has a molecular weight of 284.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 79912791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).