4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane

C12H20OS — CID 115410369

IUPAC4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane
SMILESC=CCC1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H20OS/c1-2-3-11-4-7-13-12(10-11)5-8-14-9-6-12/h2,11H,1,3-10H2
InChIKeyZKLWTXOURAKKGG-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.25
Rot. Bonds2

About 4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane

4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane (PubChem CID 115410369) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane.

Molecular Properties

Compound Name4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane
PubChem CID115410369
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane
SMILESC=CCC1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H20OS/c1-2-3-11-4-7-13-12(10-11)5-8-14-9-6-12/h2,11H,1,3-10H2
InChIKeyZKLWTXOURAKKGG-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.25
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

2-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-ylmethyl)propan-1-amine
CID 79914967
2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
CID 79920668
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol
CID 113437950
2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 79920475
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79923611
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(prop-2-enyl)amino]acetic acid
CID 79901710
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
CID 79923117
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 79922491
1-oxa-9-thiaspiro[5.5]undecan-4-ylboronic acid
CID 79919830
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79907331

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane?
The IUPAC name of 4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane (CID 115410369) is 4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane.
What is the SMILES notation for 4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane?
The canonical SMILES for 4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane is C=CCC1CCOC2(CCSCC2)C1.
What is the InChIKey of 4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane?
The InChIKey is ZKLWTXOURAKKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-2-3-11-4-7-13-12(10-11)5-8-14-9-6-12/h2,11H,1,3-10H2.
What are the key properties of 4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane?
4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane has a molecular weight of 212.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane is sourced from PubChem (CID 115410369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).