8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane

C16H24OS — CID 176604197

IUPAC8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane
SMILESC(OCC1CC2SC1C1CCCC21)=C1CCCC1
InChIInChI=1S/C16H24OS/c1-2-5-11(4-1)9-17-10-12-8-15-13-6-3-7-14(13)16(12)18-15/h9,12-16H,1-8,10H2
InChIKeyWBHVZFHLELYARY-UHFFFAOYSA-N
MW264.43 g/mol
LogP4.38
Rot. Bonds3

About 8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane

8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane (PubChem CID 176604197) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is 8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane
PubChem CID176604197
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane
SMILESC(OCC1CC2SC1C1CCCC21)=C1CCCC1
InChIInChI=1S/C16H24OS/c1-2-5-11(4-1)9-17-10-12-8-15-13-6-3-7-14(13)16(12)18-15/h9,12-16H,1-8,10H2
InChIKeyWBHVZFHLELYARY-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane
CID 176604369
2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
7-thiatricyclo[6.3.0.02,6]undecane
CID 58594501
3-[2-(cyclopentylidenemethoxy)ethyl]thietane
CID 176605101
2-[2-(cyclohexylidenemethoxy)ethyl]thiolane
CID 176604098
1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)propane-1,3-diamine
CID 129125616
2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane
CID 176604134
3-(cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
5,20-dithiaoctacyclo[14.14.0.03,14.04,12.06,11.018,29.019,27.021,26]triacontane
CID 155086938
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane
CID 176605301
2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane
CID 176605261
3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603805

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane (CID 176604197) is 8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane is C(OCC1CC2SC1C1CCCC21)=C1CCCC1.
What is the InChIKey of 8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane?
The InChIKey is WBHVZFHLELYARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-2-5-11(4-1)9-17-10-12-8-15-13-6-3-7-14(13)16(12)18-15/h9,12-16H,1-8,10H2.
What are the key properties of 8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane?
8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane has a molecular weight of 264.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 176604197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).