(2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane

C13H22O — CID 155934447

IUPAC(2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane
SMILESC[C@@]1(/C=C/C2CCCCC2)CCCO1
InChIInChI=1S/C13H22O/c1-13(9-5-11-14-13)10-8-12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3/b10-8+/t13-/m0/s1
InChIKeyCFTWVTSNRTYHLN-FROQITRMSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds2

About (2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane

(2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane (PubChem CID 155934447) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane.

Molecular Properties

Compound Name(2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane
PubChem CID155934447
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane
SMILESC[C@@]1(/C=C/C2CCCCC2)CCCO1
InChIInChI=1S/C13H22O/c1-13(9-5-11-14-13)10-8-12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3/b10-8+/t13-/m0/s1
InChIKeyCFTWVTSNRTYHLN-FROQITRMSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Oxabicyclo(3.2.1)oct-3-ene, 4,7,7-trimethyl-
CID 101153
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl-
CID 171338
(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888684
1-Ethoxy-p-menth-2-ene
CID 92004572
(2S,5S)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888683
1-Oxaspiro[4.5]dec-3-ene
CID 642943
1-Oxaspiro(5.5)undec-4-ene, 4-methyl-
CID 642949
9-Methyl-6-oxaspiro[4.5]dec-8-ene
CID 642972
1,5,5-Trimethyl-9-oxa-bicyclo[4.3.0]non-2-ene
CID 20489866
[(E)-3-ethoxyprop-1-enyl]cyclohexane
CID 5358350

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane?
The IUPAC name of (2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane (CID 155934447) is (2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane.
What is the SMILES notation for (2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane?
The canonical SMILES for (2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane is C[C@@]1(/C=C/C2CCCCC2)CCCO1.
What is the InChIKey of (2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane?
The InChIKey is CFTWVTSNRTYHLN-FROQITRMSA-N. The full InChI is InChI=1S/C13H22O/c1-13(9-5-11-14-13)10-8-12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3/b10-8+/t13-/m0/s1.
What are the key properties of (2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane?
(2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane has a molecular weight of 194.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-2-cyclohexylethenyl]-2-methyloxolane is sourced from PubChem (CID 155934447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).