2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane

C15H26O2 — CID 134856058

IUPAC2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane
SMILESCC1=CCC(OC2CCCCO2)(C(C)C)CC1
InChIInChI=1S/C15H26O2/c1-12(2)15(9-7-13(3)8-10-15)17-14-6-4-5-11-16-14/h7,12,14H,4-6,8-11H2,1-3H3
InChIKeyAUZUFHOLSVVWBJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane

2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane (PubChem CID 134856058) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane.

Molecular Properties

Compound Name2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane
PubChem CID134856058
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane
SMILESCC1=CCC(OC2CCCCO2)(C(C)C)CC1
InChIInChI=1S/C15H26O2/c1-12(2)15(9-7-13(3)8-10-15)17-14-6-4-5-11-16-14/h7,12,14H,4-6,8-11H2,1-3H3
InChIKeyAUZUFHOLSVVWBJ-UHFFFAOYSA-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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Related Compounds

1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 70625745
cyclohexyl-[1-(oxan-2-yloxy)cyclopropyl]methanol
CID 134894631
(1S)-3-methyl-1-[4-[(2R)-oxan-2-yl]oxybutyl]cyclopent-2-en-1-ol
CID 94037610
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
2-[1-[4-[1-(oxan-2-yloxy)-4-propylcyclohexyl]buta-1,3-diynyl]-4-propylcyclohexyl]oxyoxane
CID 59309325
(3S)-3-methyl-3-(oxan-2-yloxy)piperidine
CID 169225357
2-methoxyoxepane
CID 24974084
2-(1-ethynylcyclohexyl)oxyoxane
CID 14148172
2-butan-2-yloxyoxane
CID 559028
1-[4-(oxan-2-yloxy)phenyl]ethanamine
CID 160804059

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane?
The IUPAC name of 2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane (CID 134856058) is 2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane.
What is the SMILES notation for 2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane?
The canonical SMILES for 2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane is CC1=CCC(OC2CCCCO2)(C(C)C)CC1.
What is the InChIKey of 2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane?
The InChIKey is AUZUFHOLSVVWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)15(9-7-13(3)8-10-15)17-14-6-4-5-11-16-14/h7,12,14H,4-6,8-11H2,1-3H3.
What are the key properties of 2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane?
2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)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 2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane is sourced from PubChem (CID 134856058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).