(2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane

C13H22O — CID 11030689

IUPAC(2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane
SMILESC[C@@H]1CCC[C@@H](CC2=CCCCC2)O1
InChIInChI=1S/C13H22O/c1-11-6-5-9-13(14-11)10-12-7-3-2-4-8-12/h7,11,13H,2-6,8-10H2,1H3/t11-,13+/m1/s1
InChIKeyAKWMFIIRUYEJMM-YPMHNXCESA-N
MW194.32 g/mol
LogP3.83
Rot. Bonds2

About (2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane

(2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane (PubChem CID 11030689) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane.

Molecular Properties

Compound Name(2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane
PubChem CID11030689
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane
SMILESC[C@@H]1CCC[C@@H](CC2=CCCCC2)O1
InChIInChI=1S/C13H22O/c1-11-6-5-9-13(14-11)10-12-7-3-2-4-8-12/h7,11,13H,2-6,8-10H2,1H3/t11-,13+/m1/s1
InChIKeyAKWMFIIRUYEJMM-YPMHNXCESA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane?
The IUPAC name of (2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane (CID 11030689) is (2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane.
What is the SMILES notation for (2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane?
The canonical SMILES for (2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane is C[C@@H]1CCC[C@@H](CC2=CCCCC2)O1.
What is the InChIKey of (2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane?
The InChIKey is AKWMFIIRUYEJMM-YPMHNXCESA-N. The full InChI is InChI=1S/C13H22O/c1-11-6-5-9-13(14-11)10-12-7-3-2-4-8-12/h7,11,13H,2-6,8-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane?
(2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane has a molecular weight of 194.32 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(cyclohexen-1-ylmethyl)-6-methyloxane is sourced from PubChem (CID 11030689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).