(2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane

C15H26O2 — CID 738466

IUPAC(2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane
SMILESCC(C)/C=C1\CCCC[C@H]1O[C@@H]1CCCCO1
InChIInChI=1S/C15H26O2/c1-12(2)11-13-7-3-4-8-14(13)17-15-9-5-6-10-16-15/h11-12,14-15H,3-10H2,1-2H3/b13-11+/t14-,15-/m1/s1
InChIKeyJFHLPXDPWAQDCB-MLOLEURXSA-N
MW238.37 g/mol
LogP4.05
Rot. Bonds3

About (2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane

(2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane (PubChem CID 738466) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane.

Molecular Properties

Compound Name(2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane
PubChem CID738466
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane
SMILESCC(C)/C=C1\CCCC[C@H]1O[C@@H]1CCCCO1
InChIInChI=1S/C15H26O2/c1-12(2)11-13-7-3-4-8-14(13)17-15-9-5-6-10-16-15/h11-12,14-15H,3-10H2,1-2H3/b13-11+/t14-,15-/m1/s1
InChIKeyJFHLPXDPWAQDCB-MLOLEURXSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane?
The IUPAC name of (2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane (CID 738466) is (2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane.
What is the SMILES notation for (2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane?
The canonical SMILES for (2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane is CC(C)/C=C1\CCCC[C@H]1O[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane?
The InChIKey is JFHLPXDPWAQDCB-MLOLEURXSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)11-13-7-3-4-8-14(13)17-15-9-5-6-10-16-15/h11-12,14-15H,3-10H2,1-2H3/b13-11+/t14-,15-/m1/s1.
What are the key properties of (2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane?
(2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane has a molecular weight of 238.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,2E)-2-(2-methylpropylidene)cyclohexyl]oxyoxane is sourced from PubChem (CID 738466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).