2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane

C17H30O2 — CID 176603278

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane
SMILESCC1(CCOC=C2CCCCC2)CCCCCCO1
InChIInChI=1S/C17H30O2/c1-17(11-7-2-3-8-13-19-17)12-14-18-15-16-9-5-4-6-10-16/h15H,2-14H2,1H3
InChIKeyMOKKNNJOJLACEU-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.98
Rot. Bonds4

About 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane

2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane (PubChem CID 176603278) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane
PubChem CID176603278
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane
SMILESCC1(CCOC=C2CCCCC2)CCCCCCO1
InChIInChI=1S/C17H30O2/c1-17(11-7-2-3-8-13-19-17)12-14-18-15-16-9-5-4-6-10-16/h15H,2-14H2,1H3
InChIKeyMOKKNNJOJLACEU-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'}, {'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-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxepane
CID 176603114
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxane
CID 176603481
2-(Cyclohexylidenemethoxymethyl)-2-methyloxocane
CID 176603918
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxocane
CID 176604043
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxocane
CID 176604065
3-[2-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176604471
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxocane
CID 176605013
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxocane
CID 176605121
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxepane
CID 176605227
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxocane
CID 176605253

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane (CID 176603278) is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane is CC1(CCOC=C2CCCCC2)CCCCCCO1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane?
The InChIKey is MOKKNNJOJLACEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-17(11-7-2-3-8-13-19-17)12-14-18-15-16-9-5-4-6-10-16/h15H,2-14H2,1H3.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane?
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane 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-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxocane is sourced from PubChem (CID 176603278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).