2-[2-(cyclohexylidenemethoxy)ethyl]oxolane

C13H22O2 — CID 176604877

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]oxolane
SMILESC(OCCC1CCCO1)=C1CCCCC1
InChIInChI=1S/C13H22O2/c1-2-5-12(6-3-1)11-14-10-8-13-7-4-9-15-13/h11,13H,1-10H2
InChIKeyJCDCQTGYBNXMPG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds4

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

2-[2-(cyclohexylidenemethoxy)ethyl]oxolane (PubChem CID 176604877) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]oxolane
PubChem CID176604877
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]oxolane
SMILESC(OCCC1CCCO1)=C1CCCCC1
InChIInChI=1S/C13H22O2/c1-2-5-12(6-3-1)11-14-10-8-13-7-4-9-15-13/h11,13H,1-10H2
InChIKeyJCDCQTGYBNXMPG-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.42
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-Methylhex-1-enoxycyclohexane
CID 57200948
[(E)-2-methylhex-1-enoxy]cyclohexane
CID 67939074
4-(4-Methylidenecyclohexyl)oxyoxane
CID 88984885
1-(3-Methoxypropoxy)-3-methylidenecyclohexane
CID 91235286
1-Ethoxy-4-(methoxymethylidene)cyclohexane
CID 118366710
1-Methoxy-4-(methoxymethylidene)cyclohexane
CID 118962999
2-[1-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176602906
2-(Cyclohexylidenemethoxymethyl)oxolane
CID 176602984
3-(Cyclohexylidenemethoxy)oxolane
CID 176603024
4-(Cyclopentylidenemethoxy)oxane
CID 176603057
2-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176603711
2-[2-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176604066

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]oxolane?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]oxolane (CID 176604877) is 2-[2-(cyclohexylidenemethoxy)ethyl]oxolane.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]oxolane?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]oxolane is C(OCCC1CCCO1)=C1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]oxolane?
The InChIKey is JCDCQTGYBNXMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-5-12(6-3-1)11-14-10-8-13-7-4-9-15-13/h11,13H,1-10H2.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]oxolane?
2-[2-(cyclohexylidenemethoxy)ethyl]oxolane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 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]oxolane is sourced from PubChem (CID 176604877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).