2-(cyclohexylmethyl)oxane

C12H22O — CID 14913974

IUPAC2-(cyclohexylmethyl)oxane
SMILESC1CCC(CC2CCCCO2)CC1
InChIInChI=1S/C12H22O/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h11-12H,1-10H2
InChIKeyUUVBVEQDNHITJD-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.53
Rot. Bonds2

About 2-(cyclohexylmethyl)oxane

2-(cyclohexylmethyl)oxane (PubChem CID 14913974) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)oxane.

Molecular Properties

Compound Name2-(cyclohexylmethyl)oxane
PubChem CID14913974
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(cyclohexylmethyl)oxane
SMILESC1CCC(CC2CCCCO2)CC1
InChIInChI=1S/C12H22O/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h11-12H,1-10H2
InChIKeyUUVBVEQDNHITJD-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)oxane?
The IUPAC name of 2-(cyclohexylmethyl)oxane (CID 14913974) is 2-(cyclohexylmethyl)oxane.
What is the SMILES notation for 2-(cyclohexylmethyl)oxane?
The canonical SMILES for 2-(cyclohexylmethyl)oxane is C1CCC(CC2CCCCO2)CC1.
What is the InChIKey of 2-(cyclohexylmethyl)oxane?
The InChIKey is UUVBVEQDNHITJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h11-12H,1-10H2.
What are the key properties of 2-(cyclohexylmethyl)oxane?
2-(cyclohexylmethyl)oxane has a molecular weight of 182.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)oxane is sourced from PubChem (CID 14913974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).