4-(4-methylidenecyclohexyl)oxyoxane

C12H20O2 — CID 88984885

IUPAC4-(4-methylidenecyclohexyl)oxyoxane
SMILESC=C1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C12H20O2/c1-10-2-4-11(5-3-10)14-12-6-8-13-9-7-12/h11-12H,1-9H2
InChIKeyLRSFFWXJVBGBFY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.68
Rot. Bonds2

About 4-(4-methylidenecyclohexyl)oxyoxane

4-(4-methylidenecyclohexyl)oxyoxane (PubChem CID 88984885) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(4-methylidenecyclohexyl)oxyoxane.

Molecular Properties

Compound Name4-(4-methylidenecyclohexyl)oxyoxane
PubChem CID88984885
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-(4-methylidenecyclohexyl)oxyoxane
SMILESC=C1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C12H20O2/c1-10-2-4-11(5-3-10)14-12-6-8-13-9-7-12/h11-12H,1-9H2
InChIKeyLRSFFWXJVBGBFY-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylidenecyclohexyl)oxyoxane?
The IUPAC name of 4-(4-methylidenecyclohexyl)oxyoxane (CID 88984885) is 4-(4-methylidenecyclohexyl)oxyoxane.
What is the SMILES notation for 4-(4-methylidenecyclohexyl)oxyoxane?
The canonical SMILES for 4-(4-methylidenecyclohexyl)oxyoxane is C=C1CCC(OC2CCOCC2)CC1.
What is the InChIKey of 4-(4-methylidenecyclohexyl)oxyoxane?
The InChIKey is LRSFFWXJVBGBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10-2-4-11(5-3-10)14-12-6-8-13-9-7-12/h11-12H,1-9H2.
What are the key properties of 4-(4-methylidenecyclohexyl)oxyoxane?
4-(4-methylidenecyclohexyl)oxyoxane has a molecular weight of 196.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylidenecyclohexyl)oxyoxane is sourced from PubChem (CID 88984885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).