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

C19H34O2 — CID 176604043

IUPAC2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane
SMILESCCC1(CCCOC=C2CCCCC2)CCCCCCO1
InChIInChI=1S/C19H34O2/c1-2-19(13-8-3-4-9-16-21-19)14-10-15-20-17-18-11-6-5-7-12-18/h17H,2-16H2,1H3
InChIKeyNYDFWRXXVIVHAB-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.76
Rot. Bonds6

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

2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane (PubChem CID 176604043) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane.

Molecular Properties

Compound Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane
PubChem CID176604043
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane
SMILESCCC1(CCCOC=C2CCCCC2)CCCCCCO1
InChIInChI=1S/C19H34O2/c1-2-19(13-8-3-4-9-16-21-19)14-10-15-20-17-18-11-6-5-7-12-18/h17H,2-16H2,1H3
InChIKeyNYDFWRXXVIVHAB-UHFFFAOYSA-N
XLogP5.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.76
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

2,5-Dihexyl-2-methyl-3,4-dihydropyran
CID 68116284
[2-[4-(1-Cyclohexylethenoxy)-4-methylpentoxy]-2-methylpropyl]cyclohexane
CID 144483086
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxepane
CID 176603114
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxocane
CID 176603278
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxane
CID 176603481
2-(Cyclohexylidenemethoxymethyl)-2-methyloxocane
CID 176603918
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxocane
CID 176604065
3-[2-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176604471
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxolane
CID 176604907
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxocane
CID 176605013
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxocane
CID 176605121
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxepane
CID 176605227

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane?
The IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane (CID 176604043) is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane.
What is the SMILES notation for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane?
The canonical SMILES for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane is CCC1(CCCOC=C2CCCCC2)CCCCCCO1.
What is the InChIKey of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane?
The InChIKey is NYDFWRXXVIVHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-2-19(13-8-3-4-9-16-21-19)14-10-15-20-17-18-11-6-5-7-12-18/h17H,2-16H2,1H3.
What are the key properties of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane?
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxocane has a molecular weight of 294.48 g/mol, XLogP of 5.76, 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-ethyloxocane is sourced from PubChem (CID 176604043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).