3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane

C14H24O2 — CID 176603522

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane
SMILESCC1(CCOC=C2CCCCC2)CCOC1
InChIInChI=1S/C14H24O2/c1-14(8-10-16-12-14)7-9-15-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3
InChIKeySJCGXERBDBOTDR-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane

3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane (PubChem CID 176603522) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane
PubChem CID176603522
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane
SMILESCC1(CCOC=C2CCCCC2)CCOC1
InChIInChI=1S/C14H24O2/c1-14(8-10-16-12-14)7-9-15-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3
InChIKeySJCGXERBDBOTDR-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
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-ethyloxolane
CID 176603026
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176603506
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxolane
CID 176603521
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methyloxane
CID 176603816
4-(Cyclopentylidenemethoxymethyl)-4-ethyloxane
CID 176604071
4-(Cyclopentylidenemethoxymethyl)-4-methyloxane
CID 176604122
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methyloxane
CID 176604630
4-(Cyclohexylidenemethoxymethyl)-4-ethyloxane
CID 176604688
3-[2-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176604719
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxolane
CID 176604749
3-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176604799
4-(Cyclohexylidenemethoxymethyl)-4-methyloxane
CID 176604962

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane (CID 176603522) is 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane is CC1(CCOC=C2CCCCC2)CCOC1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane?
The InChIKey is SJCGXERBDBOTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(8-10-16-12-14)7-9-15-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane?
3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxolane is sourced from PubChem (CID 176603522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).