(4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane

C13H18S — CID 6428492

IUPAC(4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane
SMILESC/C=C1\C2CC3CC1SC(C2)/C3=C/C
InChIInChI=1S/C13H18S/c1-3-10-8-5-9-7-12(10)14-13(6-8)11(9)4-2/h3-4,8-9,12-13H,5-7H2,1-2H3/b10-3+,11-4+
InChIKeyDQYPQUPLZVFUDV-HULALXFYSA-N
MW206.35 g/mol
LogP3.79
Rot. Bonds

About (4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane

(4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane (PubChem CID 6428492) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is (4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name(4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane
PubChem CID6428492
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name(4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane
SMILESC/C=C1\C2CC3CC1SC(C2)/C3=C/C
InChIInChI=1S/C13H18S/c1-3-10-8-5-9-7-12(10)14-13(6-8)11(9)4-2/h3-4,8-9,12-13H,5-7H2,1-2H3/b10-3+,11-4+
InChIKeyDQYPQUPLZVFUDV-HULALXFYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,8-Dibutylidene-2-thiaadamantane
CID 6428490
4,8-Dipropylidene-2-thiaadamantane
CID 6428495
4-Ethylidene-2-thiaadamantane
CID 6428496
4,8-Dimethylene-2-thiaadamantane
CID 6428497
4-Methylene-2-thiaadamantane
CID 6428498
(5S)-1-(cyclohexen-1-ylsulfanyl)-3,5-dimethylcyclohexane
CID 156124356
(4Z,8Z)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane
CID 20837750
(4Z,8Z)-4,8-di(propylidene)-2-thiatricyclo[3.3.1.13,7]decane
CID 20837751
(4Z)-4-ethylidene-2-thiatricyclo[3.3.1.13,7]decane
CID 20837752
(1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane
CID 100990146
(1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane
CID 100990147
(1R,3R,5R,7R)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane
CID 101797788

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane?
The IUPAC name of (4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane (CID 6428492) is (4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for (4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane?
The canonical SMILES for (4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane is C/C=C1\C2CC3CC1SC(C2)/C3=C/C.
What is the InChIKey of (4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane?
The InChIKey is DQYPQUPLZVFUDV-HULALXFYSA-N. The full InChI is InChI=1S/C13H18S/c1-3-10-8-5-9-7-12(10)14-13(6-8)11(9)4-2/h3-4,8-9,12-13H,5-7H2,1-2H3/b10-3+,11-4+.
What are the key properties of (4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane?
(4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane has a molecular weight of 206.35 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 6428492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).