10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene

C14H22S2 — CID 177474425

IUPAC10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene
SMILESC=CCCCC1=CC2(CCC1)SCCCS2
InChIInChI=1S/C14H22S2/c1-2-3-4-7-13-8-5-9-14(12-13)15-10-6-11-16-14/h2,12H,1,3-11H2
InChIKeyXIKMWHCFOLJOJX-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.02
Rot. Bonds4

About 10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene

10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene (PubChem CID 177474425) has the molecular formula C14H22S2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene.

Molecular Properties

Compound Name10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene
PubChem CID177474425
Molecular FormulaC14H22S2
Molecular Weight254.46 g/mol
Exact Mass254.12
IUPAC Name10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene
SMILESC=CCCCC1=CC2(CCC1)SCCCS2
InChIInChI=1S/C14H22S2/c1-2-3-4-7-13-8-5-9-14(12-13)15-10-6-11-16-14/h2,12H,1,3-11H2
InChIKeyXIKMWHCFOLJOJX-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(Pent-4-en-1-yl)-1,4-dithiaspiro[4.5]dec-6-ene
CID 132451981
2-[(Z)-oct-2-enyl]-1,3-dithiane
CID 11117877
2-[(E)-oct-1-enyl]-1,3-dithiane
CID 11128131
13-Thiabicyclo-[7.3.1]-5-tridecene
CID 13013120
2-[(1Z)-1-octenyl]-1,3-dithiane
CID 14322876
5-(thian-2-yl)-3,4-dihydro-2H-thiopyran
CID 14448769
2-Methyl-2-(4-methylpent-3-enyl)-1,3-dithiane
CID 21772660
6-But-3-enyl-7-methyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 53254729
(19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene
CID 72734907
(20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene
CID 72734908
(21E)-1,5,12,16-tetrathiadispiro[5.4.511.106]hexacos-21-ene
CID 72734910
2-(4-Prop-1-en-2-ylcyclohexen-1-yl)-1,3-dithiane
CID 85928606

Frequently Asked Questions

What is the IUPAC name of 10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene?
The IUPAC name of 10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene (CID 177474425) is 10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene.
What is the SMILES notation for 10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene?
The canonical SMILES for 10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene is C=CCCCC1=CC2(CCC1)SCCCS2.
What is the InChIKey of 10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene?
The InChIKey is XIKMWHCFOLJOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22S2/c1-2-3-4-7-13-8-5-9-14(12-13)15-10-6-11-16-14/h2,12H,1,3-11H2.
What are the key properties of 10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene?
10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene has a molecular weight of 254.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene is sourced from PubChem (CID 177474425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).