2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane

C17H30O2 — CID 176605121

IUPAC2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane
SMILESCCC1(COC=C2CCCCC2)CCCCCCO1
InChIInChI=1S/C17H30O2/c1-2-17(12-8-3-4-9-13-19-17)15-18-14-16-10-6-5-7-11-16/h14H,2-13,15H2,1H3
InChIKeyHSBOGJBFBNJABZ-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.98
Rot. Bonds4

About 2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane

2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane (PubChem CID 176605121) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane
PubChem CID176605121
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane
SMILESCCC1(COC=C2CCCCC2)CCCCCCO1
InChIInChI=1S/C17H30O2/c1-2-17(12-8-3-4-9-13-19-17)15-18-14-16-10-6-5-7-11-16/h14H,2-13,15H2,1H3
InChIKeyHSBOGJBFBNJABZ-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.98
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

2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxepane
CID 176603114
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxocane
CID 176603278
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603287
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603429
2-(Cyclohexylidenemethoxymethyl)-2-methyloxocane
CID 176603918
2-[1-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176603972
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxocane
CID 176604043
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxocane
CID 176604065
2-(Cyclopentylidenemethoxymethyl)-2-methyloxocane
CID 176604337
3-[2-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176604471
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxocane
CID 176605013
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxepane
CID 176605227

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane (CID 176605121) is 2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane is CCC1(COC=C2CCCCC2)CCCCCCO1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane?
The InChIKey is HSBOGJBFBNJABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-17(12-8-3-4-9-13-19-17)15-18-14-16-10-6-5-7-11-16/h14H,2-13,15H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane?
2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane has a molecular weight of 266.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-ethyloxocane is sourced from PubChem (CID 176605121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).