4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene

C10H16OS — CID 102531155

IUPAC4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene
SMILESCC1=CCOC2(CCSCC2)C1
InChIInChI=1S/C10H16OS/c1-9-2-5-11-10(8-9)3-6-12-7-4-10/h2H,3-8H2,1H3
InChIKeyQNSZVAGBLVQPMZ-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.62
Rot. Bonds

About 4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene

4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene (PubChem CID 102531155) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene
PubChem CID102531155
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene
SMILESCC1=CCOC2(CCSCC2)C1
InChIInChI=1S/C10H16OS/c1-9-2-5-11-10(8-9)3-6-12-7-4-10/h2H,3-8H2,1H3
InChIKeyQNSZVAGBLVQPMZ-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.62
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

(4Z)-4-ethylidene-3-methoxy-2-methylthiane
CID 88988817
4-Ethylidene-3-methoxy-2-methylthiane
CID 123485009
3,4-dimethylthiepane;4-methyl-3,6-dihydro-2H-pyran
CID 141915061
(2S,3S)-2,3-diethyl-6-methyl-3,6-dihydro-2H-pyran;(4S,5S)-4,5-diethyl-2-methylthiane
CID 159531790
4-Methyl-1-oxa-9-thiaspiro[5.5]undec-4-ene
CID 102531157

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene?
The IUPAC name of 4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene (CID 102531155) is 4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene.
What is the SMILES notation for 4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene?
The canonical SMILES for 4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene is CC1=CCOC2(CCSCC2)C1.
What is the InChIKey of 4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene?
The InChIKey is QNSZVAGBLVQPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-9-2-5-11-10(8-9)3-6-12-7-4-10/h2H,3-8H2,1H3.
What are the key properties of 4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene?
4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene has a molecular weight of 184.30 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxa-9-thiaspiro[5.5]undec-3-ene is sourced from PubChem (CID 102531155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).