2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane

C14H24OS — CID 176605301

IUPAC2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane
SMILESCCC1(CCCOC=C2CCCCC2)CS1
InChIInChI=1S/C14H24OS/c1-2-14(12-16-14)9-6-10-15-11-13-7-4-3-5-8-13/h11H,2-10,12H2,1H3
InChIKeyDYUKQYFEOWTZQJ-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.53
Rot. Bonds6

About 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane

2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane (PubChem CID 176605301) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane.

Molecular Properties

Compound Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane
PubChem CID176605301
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane
SMILESCCC1(CCCOC=C2CCCCC2)CS1
InChIInChI=1S/C14H24OS/c1-2-14(12-16-14)9-6-10-15-11-13-7-4-3-5-8-13/h11H,2-10,12H2,1H3
InChIKeyDYUKQYFEOWTZQJ-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane 1,1-dioxide
CID 176604138
4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane
CID 176604743
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane 1,1-dioxide
CID 176604653
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiocane 1,1-dioxide
CID 176604257
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
undecoxymethylidenecyclobutane
CID 165120762
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176605037
2-(cyclopentylidenemethoxymethyl)-2-ethyloxepane
CID 176602930
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176605208
3-(cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
2-(cyclohexylidenemethoxymethyl)-2-methylthiane
CID 176605246

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane?
The IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane (CID 176605301) is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane.
What is the SMILES notation for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane?
The canonical SMILES for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane is CCC1(CCCOC=C2CCCCC2)CS1.
What is the InChIKey of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane?
The InChIKey is DYUKQYFEOWTZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-2-14(12-16-14)9-6-10-15-11-13-7-4-3-5-8-13/h11H,2-10,12H2,1H3.
What are the key properties of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane?
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane has a molecular weight of 240.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane is sourced from PubChem (CID 176605301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).