(2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane

C13H22O2 — CID 124564247

IUPAC(2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane
SMILESC=C1CCC(C)(O[C@@H]2CCCCO2)CC1
InChIInChI=1S/C13H22O2/c1-11-6-8-13(2,9-7-11)15-12-5-3-4-10-14-12/h12H,1,3-10H2,2H3/t12-/m1/s1
InChIKeyQQHWUMUVOHKPCY-GFCCVEGCSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds2

About (2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane

(2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane (PubChem CID 124564247) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane.

Molecular Properties

Compound Name(2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane
PubChem CID124564247
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane
SMILESC=C1CCC(C)(O[C@@H]2CCCCO2)CC1
InChIInChI=1S/C13H22O2/c1-11-6-8-13(2,9-7-11)15-12-5-3-4-10-14-12/h12H,1,3-10H2,2H3/t12-/m1/s1
InChIKeyQQHWUMUVOHKPCY-GFCCVEGCSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane 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-(4-Methylidenecyclohexyl)oxyoxane
CID 15349885
2-[(4-methylcyclohex-3-en-1-yl)methoxy]tetrahydro-2H-pyran
CID 3569245
Cyclohexene, 1-methyl-4-[1-(tetrahydropyran-2-yloxy)ethyl]-
CID 559212
2-(4-Methyloct-1-en-4-yloxy)oxane
CID 15877491
2-(4-Ethenylcyclohexyl)oxyoxane
CID 21185047
2-(1-Methyl-4-methylene-cyclohexyloxy)-tetrahydro-pyran
CID 67035331
2,3-Dideuterio-2-(4-methylidenecyclohexyl)oxyoxane
CID 140220126
2-(1-Ethenylcyclohexyl)oxyoxane
CID 140985775
(2S)-2-[[(1S)-4-methylcyclohex-3-en-1-yl]methoxy]oxane
CID 738462
(2S)-2-[[(1R)-4-methylcyclohex-3-en-1-yl]methoxy]oxane
CID 738463
(2R)-2-[[(1S)-4-methylcyclohex-3-en-1-yl]methoxy]oxane
CID 738464
(2R)-2-[[(1R)-4-methylcyclohex-3-en-1-yl]methoxy]oxane
CID 738465

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane?
The IUPAC name of (2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane (CID 124564247) is (2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane.
What is the SMILES notation for (2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane?
The canonical SMILES for (2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane is C=C1CCC(C)(O[C@@H]2CCCCO2)CC1.
What is the InChIKey of (2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane?
The InChIKey is QQHWUMUVOHKPCY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22O2/c1-11-6-8-13(2,9-7-11)15-12-5-3-4-10-14-12/h12H,1,3-10H2,2H3/t12-/m1/s1.
What are the key properties of (2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane?
(2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane is sourced from PubChem (CID 124564247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).