6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane

C11H18S2 — CID 11745994

IUPAC6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane
SMILESC/C=C/C1CCCCC12SCCS2
InChIInChI=1S/C11H18S2/c1-2-5-10-6-3-4-7-11(10)12-8-9-13-11/h2,5,10H,3-4,6-9H2,1H3/b5-2+
InChIKeyWXUXUEPNBJZUBX-GORDUTHDSA-N
MW214.40 g/mol
LogP3.93
Rot. Bonds1

About 6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane

6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane (PubChem CID 11745994) has the molecular formula C11H18S2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane
PubChem CID11745994
Molecular FormulaC11H18S2
Molecular Weight214.40 g/mol
Exact Mass214.08
IUPAC Name6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane
SMILESC/C=C/C1CCCCC12SCCS2
InChIInChI=1S/C11H18S2/c1-2-5-10-6-3-4-7-11(10)12-8-9-13-11/h2,5,10H,3-4,6-9H2,1H3/b5-2+
InChIKeyWXUXUEPNBJZUBX-GORDUTHDSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.93
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(4aH)-Naphthalenone, 3,4,5,6,7,8-hexahydro-, dithiaethylene acetal
CID 607700
6-Methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]dec-6-ene
CID 15625911
5-Cyclohexyl-2,3-dihydrothiophene
CID 10899091
5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
CID 68347668
7,9,9-Trimethyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 12616889
6-Methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 12669525
3-Ethyl-2-thiabicyclo[2.2.1]hept-5-ene
CID 13429915
3-Propyl-2-thiabicyclo[2.2.1]hept-5-ene
CID 13429918
3-Butyl-2-thiabicyclo[2.2.1]hept-5-ene
CID 13429919
3-Propan-2-yl-2-thiabicyclo[2.2.1]hept-5-ene
CID 13429920
Tributyl-[4-(2-methyl-1,3-dithiolan-2-yl)cyclohexen-1-yl]stannane
CID 13615621
5-Heptan-3-yl-2,3-dihydrothiophene
CID 100984300

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane?
The IUPAC name of 6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane (CID 11745994) is 6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane.
What is the SMILES notation for 6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane?
The canonical SMILES for 6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane is C/C=C/C1CCCCC12SCCS2.
What is the InChIKey of 6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane?
The InChIKey is WXUXUEPNBJZUBX-GORDUTHDSA-N. The full InChI is InChI=1S/C11H18S2/c1-2-5-10-6-3-4-7-11(10)12-8-9-13-11/h2,5,10H,3-4,6-9H2,1H3/b5-2+.
What are the key properties of 6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane?
6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane has a molecular weight of 214.40 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-prop-1-enyl]-1,4-dithiaspiro[4.5]decane is sourced from PubChem (CID 11745994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).