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

C17H30O2 — CID 176603481

IUPAC2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane
SMILESCCC1(CCCOC=C2CCCCC2)CCCCO1
InChIInChI=1S/C17H30O2/c1-2-17(11-6-7-14-19-17)12-8-13-18-15-16-9-4-3-5-10-16/h15H,2-14H2,1H3
InChIKeyHXZFGOYHFQWOEF-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.98
Rot. Bonds6

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

2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane (PubChem CID 176603481) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane.

Molecular Properties

Compound Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane
PubChem CID176603481
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane
SMILESCCC1(CCCOC=C2CCCCC2)CCCCO1
InChIInChI=1S/C17H30O2/c1-2-17(11-6-7-14-19-17)12-8-13-18-15-16-9-4-3-5-10-16/h15H,2-14H2,1H3
InChIKeyHXZFGOYHFQWOEF-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

1-Oxaspiro[5.5]undecane, 4-methylene-
CID 10899059
4-Methyl-4-(3-methylbut-3-enoxy)-1-oxaspiro[5.5]undecane
CID 100930786
9-Hexylidene-1-oxaspiro[5.5]undecane
CID 118899973
[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-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603700
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxocane
CID 176604043
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
CID 176604590
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxane
CID 176604784
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxolane
CID 176604907
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxane
CID 176605326

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane?
The IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane (CID 176603481) is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane.
What is the SMILES notation for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane?
The canonical SMILES for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane is CCC1(CCCOC=C2CCCCC2)CCCCO1.
What is the InChIKey of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane?
The InChIKey is HXZFGOYHFQWOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-17(11-6-7-14-19-17)12-8-13-18-15-16-9-4-3-5-10-16/h15H,2-14H2,1H3.
What are the key properties of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane?
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyloxane has a molecular weight of 266.42 g/mol, XLogP of 4.98, 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-ethyloxane is sourced from PubChem (CID 176603481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).