7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene

C12H18OS — CID 121015565

IUPAC7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene
SMILESC=CCC1CCC2(C=C1C)OCCS2
InChIInChI=1S/C12H18OS/c1-3-4-11-5-6-12(9-10(11)2)13-7-8-14-12/h3,9,11H,1,4-8H2,2H3
InChIKeyFIVLVSQDYGLQBP-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.38
Rot. Bonds2

About 7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene

7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene (PubChem CID 121015565) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene
PubChem CID121015565
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene
SMILESC=CCC1CCC2(C=C1C)OCCS2
InChIInChI=1S/C12H18OS/c1-3-4-11-5-6-12(9-10(11)2)13-7-8-14-12/h3,9,11H,1,4-8H2,2H3
InChIKeyFIVLVSQDYGLQBP-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene?
The IUPAC name of 7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene (CID 121015565) is 7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene.
What is the SMILES notation for 7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene?
The canonical SMILES for 7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene is C=CCC1CCC2(C=C1C)OCCS2.
What is the InChIKey of 7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene?
The InChIKey is FIVLVSQDYGLQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-3-4-11-5-6-12(9-10(11)2)13-7-8-14-12/h3,9,11H,1,4-8H2,2H3.
What are the key properties of 7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene?
7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene has a molecular weight of 210.34 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-prop-2-enyl-1-oxa-4-thiaspiro[4.5]dec-6-ene is sourced from PubChem (CID 121015565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).