(2S)-2-(cyclohexen-1-yl)-2-methyloxolane

C11H18O — CID 155934127

IUPAC(2S)-2-(cyclohexen-1-yl)-2-methyloxolane
SMILESC[C@@]1(C2=CCCCC2)CCCO1
InChIInChI=1S/C11H18O/c1-11(8-5-9-12-11)10-6-3-2-4-7-10/h6H,2-5,7-9H2,1H3/t11-/m0/s1
InChIKeyOHJLEZYXAOMDRM-NSHDSACASA-N
MW166.26 g/mol
LogP3.06
Rot. Bonds1

About (2S)-2-(cyclohexen-1-yl)-2-methyloxolane

(2S)-2-(cyclohexen-1-yl)-2-methyloxolane (PubChem CID 155934127) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2S)-2-(cyclohexen-1-yl)-2-methyloxolane.

Molecular Properties

Compound Name(2S)-2-(cyclohexen-1-yl)-2-methyloxolane
PubChem CID155934127
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2S)-2-(cyclohexen-1-yl)-2-methyloxolane
SMILESC[C@@]1(C2=CCCCC2)CCCO1
InChIInChI=1S/C11H18O/c1-11(8-5-9-12-11)10-6-3-2-4-7-10/h6H,2-5,7-9H2,1H3/t11-/m0/s1
InChIKeyOHJLEZYXAOMDRM-NSHDSACASA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.06
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)-2-(cyclohexen-1-yl)-2-methyloxolane?
The IUPAC name of (2S)-2-(cyclohexen-1-yl)-2-methyloxolane (CID 155934127) is (2S)-2-(cyclohexen-1-yl)-2-methyloxolane.
What is the SMILES notation for (2S)-2-(cyclohexen-1-yl)-2-methyloxolane?
The canonical SMILES for (2S)-2-(cyclohexen-1-yl)-2-methyloxolane is C[C@@]1(C2=CCCCC2)CCCO1.
What is the InChIKey of (2S)-2-(cyclohexen-1-yl)-2-methyloxolane?
The InChIKey is OHJLEZYXAOMDRM-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O/c1-11(8-5-9-12-11)10-6-3-2-4-7-10/h6H,2-5,7-9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(cyclohexen-1-yl)-2-methyloxolane?
(2S)-2-(cyclohexen-1-yl)-2-methyloxolane has a molecular weight of 166.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexen-1-yl)-2-methyloxolane is sourced from PubChem (CID 155934127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).