2-(cyclohexylmethyl)oxolane

C11H20O — CID 14027486

IUPAC2-(cyclohexylmethyl)oxolane
SMILESC1CCC(CC2CCCO2)CC1
InChIInChI=1S/C11H20O/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h10-11H,1-9H2
InChIKeyXZGVQTNVMLWEMJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.14
Rot. Bonds2

About 2-(cyclohexylmethyl)oxolane

2-(cyclohexylmethyl)oxolane (PubChem CID 14027486) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)oxolane.

Molecular Properties

Compound Name2-(cyclohexylmethyl)oxolane
PubChem CID14027486
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(cyclohexylmethyl)oxolane
SMILESC1CCC(CC2CCCO2)CC1
InChIInChI=1S/C11H20O/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h10-11H,1-9H2
InChIKeyXZGVQTNVMLWEMJ-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)oxolane?
The IUPAC name of 2-(cyclohexylmethyl)oxolane (CID 14027486) is 2-(cyclohexylmethyl)oxolane.
What is the SMILES notation for 2-(cyclohexylmethyl)oxolane?
The canonical SMILES for 2-(cyclohexylmethyl)oxolane is C1CCC(CC2CCCO2)CC1.
What is the InChIKey of 2-(cyclohexylmethyl)oxolane?
The InChIKey is XZGVQTNVMLWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h10-11H,1-9H2.
What are the key properties of 2-(cyclohexylmethyl)oxolane?
2-(cyclohexylmethyl)oxolane has a molecular weight of 168.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)oxolane is sourced from PubChem (CID 14027486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).