2-cyclopentadecylidene-1,3-dithiane

C19H34S2 — CID 101486575

IUPAC2-cyclopentadecylidene-1,3-dithiane
SMILESC1CCCCCCCC(=C2SCCCS2)CCCCCC1
InChIInChI=1S/C19H34S2/c1-2-4-6-8-10-12-15-18(14-11-9-7-5-3-1)19-20-16-13-17-21-19/h1-17H2
InChIKeyGVENIODGSWKVES-UHFFFAOYSA-N
MW326.62 g/mol
LogP7.54
Rot. Bonds

About 2-cyclopentadecylidene-1,3-dithiane

2-cyclopentadecylidene-1,3-dithiane (PubChem CID 101486575) has the molecular formula C19H34S2 and a molecular weight of 326.62 g/mol. Its IUPAC name is 2-cyclopentadecylidene-1,3-dithiane.

Molecular Properties

Compound Name2-cyclopentadecylidene-1,3-dithiane
PubChem CID101486575
Molecular FormulaC19H34S2
Molecular Weight326.62 g/mol
Exact Mass326.21
IUPAC Name2-cyclopentadecylidene-1,3-dithiane
SMILESC1CCCCCCCC(=C2SCCCS2)CCCCCC1
InChIInChI=1S/C19H34S2/c1-2-4-6-8-10-12-15-18(14-11-9-7-5-3-1)19-20-16-13-17-21-19/h1-17H2
InChIKeyGVENIODGSWKVES-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.62
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentadecylidene-1,3-dithiane 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

2,5-di(cyclopentylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole
CID 102520768
2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene
CID 10624148
(1Z)-bicyclo[10.8.0]icos-1(12)-ene
CID 5377998
2-(3,3,5,5-tetramethylcyclohexylidene)-1,3-dithiane
CID 66827575
4-(4-cyclohexylidenecyclohexylidene)thiane
CID 10084084
2-cyclohexylidene-1,3-benzodithiole
CID 10243140
2-(2-cyclopentylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-1,3-benzodithiole
CID 10644460
2-(9-bicyclo[3.3.1]nonanylidene)-1,3-dithiane
CID 70828768
1,3-dithian-2-one
CID 571473
bis(thian-2-one);hydrochloride
CID 121295165
2-cyclohexylidene-3-methoxythiolane
CID 14964053
2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol
CID 15305231

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentadecylidene-1,3-dithiane?
The IUPAC name of 2-cyclopentadecylidene-1,3-dithiane (CID 101486575) is 2-cyclopentadecylidene-1,3-dithiane.
What is the SMILES notation for 2-cyclopentadecylidene-1,3-dithiane?
The canonical SMILES for 2-cyclopentadecylidene-1,3-dithiane is C1CCCCCCCC(=C2SCCCS2)CCCCCC1.
What is the InChIKey of 2-cyclopentadecylidene-1,3-dithiane?
The InChIKey is GVENIODGSWKVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34S2/c1-2-4-6-8-10-12-15-18(14-11-9-7-5-3-1)19-20-16-13-17-21-19/h1-17H2.
What are the key properties of 2-cyclopentadecylidene-1,3-dithiane?
2-cyclopentadecylidene-1,3-dithiane has a molecular weight of 326.62 g/mol, XLogP of 7.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentadecylidene-1,3-dithiane is sourced from PubChem (CID 101486575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).