(3S)-3-(cyclohexylmethoxymethyl)oxane

C13H24O2 — CID 59953465

IUPAC(3S)-3-(cyclohexylmethoxymethyl)oxane
SMILESC1CCC(COC[C@H]2CCCOC2)CC1
InChIInChI=1S/C13H24O2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h12-13H,1-11H2/t13-/m0/s1
InChIKeyUUOWYTUZCTXZPL-ZDUSSCGKSA-N
MW212.33 g/mol
LogP3.01
Rot. Bonds4

About (3S)-3-(cyclohexylmethoxymethyl)oxane

(3S)-3-(cyclohexylmethoxymethyl)oxane (PubChem CID 59953465) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (3S)-3-(cyclohexylmethoxymethyl)oxane.

Molecular Properties

Compound Name(3S)-3-(cyclohexylmethoxymethyl)oxane
PubChem CID59953465
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(3S)-3-(cyclohexylmethoxymethyl)oxane
SMILESC1CCC(COC[C@H]2CCCOC2)CC1
InChIInChI=1S/C13H24O2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h12-13H,1-11H2/t13-/m0/s1
InChIKeyUUOWYTUZCTXZPL-ZDUSSCGKSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(cyclohexylmethoxymethyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8-Dioxaspiro[5.5]undecane
CID 22020701
(3-Methoxy-2-methylpropoxy)methylcyclohexane
CID 70820898
1,3-Bis(propoxymethyl)cyclohexane
CID 70849841
cis-(1R,3S)-1,3-bis(ethoxymethyl)cyclohexane
CID 71203648
1,3-Bis(ethoxymethyl)cyclohexane
CID 78035613
1,3,5-Tris(ethoxymethyl)cyclohexane
CID 90100152
4-(1-Cyclohexylpropan-2-yloxy)oxane
CID 117971749
3-(Oxan-4-yl)oxane
CID 129023040
3-Ethyl-5-(methoxymethyl)oxane
CID 129047765
3-(2-Methylpropyl)-5-(propan-2-yloxymethyl)oxane
CID 139317359
Ethane;3-ethyl-5-(methoxymethyl)oxane
CID 145297399
4-(1-Methoxy-4-methylpentan-2-yl)oxane
CID 153514962

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclohexylmethoxymethyl)oxane?
The IUPAC name of (3S)-3-(cyclohexylmethoxymethyl)oxane (CID 59953465) is (3S)-3-(cyclohexylmethoxymethyl)oxane.
What is the SMILES notation for (3S)-3-(cyclohexylmethoxymethyl)oxane?
The canonical SMILES for (3S)-3-(cyclohexylmethoxymethyl)oxane is C1CCC(COC[C@H]2CCCOC2)CC1.
What is the InChIKey of (3S)-3-(cyclohexylmethoxymethyl)oxane?
The InChIKey is UUOWYTUZCTXZPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h12-13H,1-11H2/t13-/m0/s1.
What are the key properties of (3S)-3-(cyclohexylmethoxymethyl)oxane?
(3S)-3-(cyclohexylmethoxymethyl)oxane has a molecular weight of 212.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclohexylmethoxymethyl)oxane is sourced from PubChem (CID 59953465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).