4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane

C18H32OS — CID 176604743

IUPAC4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane
SMILESCCC1(CCCOC=C2CCCCC2)CCCSCC1
InChIInChI=1S/C18H32OS/c1-2-18(11-7-14-20-15-12-18)10-6-13-19-16-17-8-4-3-5-9-17/h16H,2-15H2,1H3
InChIKeyRYEBFDOEDPJGEV-UHFFFAOYSA-N
MW296.52 g/mol
LogP5.94
Rot. Bonds6

About 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane

4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane (PubChem CID 176604743) has the molecular formula C18H32OS and a molecular weight of 296.52 g/mol. Its IUPAC name is 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane.

Molecular Properties

Compound Name4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane
PubChem CID176604743
Molecular FormulaC18H32OS
Molecular Weight296.52 g/mol
Exact Mass296.22
IUPAC Name4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane
SMILESCCC1(CCCOC=C2CCCCC2)CCCSCC1
InChIInChI=1S/C18H32OS/c1-2-18(11-7-14-20-15-12-18)10-6-13-19-16-17-8-4-3-5-9-17/h16H,2-15H2,1H3
InChIKeyRYEBFDOEDPJGEV-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.52
LogP ≤ 55.94
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'}

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Related Compounds

3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane 1,1-dioxide
CID 176604138
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane
CID 176605301
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane 1,1-dioxide
CID 176604653
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiocane 1,1-dioxide
CID 176604257
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
undecoxymethylidenecyclobutane
CID 165120762
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176605037
3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
2-(cyclohexylidenemethoxymethyl)-2-methylthiane
CID 176605246
2-(cyclopentylidenemethoxymethyl)-2-ethyloxepane
CID 176602930
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176605208

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane?
The IUPAC name of 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane (CID 176604743) is 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane.
What is the SMILES notation for 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane?
The canonical SMILES for 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane is CCC1(CCCOC=C2CCCCC2)CCCSCC1.
What is the InChIKey of 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane?
The InChIKey is RYEBFDOEDPJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OS/c1-2-18(11-7-14-20-15-12-18)10-6-13-19-16-17-8-4-3-5-9-17/h16H,2-15H2,1H3.
What are the key properties of 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane?
4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane has a molecular weight of 296.52 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane is sourced from PubChem (CID 176604743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).