[cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene

C15H20O2 — CID 145422856

IUPAC[cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene
SMILESCOC(OCC1CC=CCC1)c1ccccc1
InChIInChI=1S/C15H20O2/c1-16-15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-4,6-7,10-11,13,15H,5,8-9,12H2,1H3
InChIKeyBLRGTIFVLVPLCJ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.70
Rot. Bonds5

About [cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene

[cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene (PubChem CID 145422856) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene.

Molecular Properties

Compound Name[cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene
PubChem CID145422856
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene
SMILESCOC(OCC1CC=CCC1)c1ccccc1
InChIInChI=1S/C15H20O2/c1-16-15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-4,6-7,10-11,13,15H,5,8-9,12H2,1H3
InChIKeyBLRGTIFVLVPLCJ-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
(4R)-4-(methoxymethyl)cyclohexene
CID 124567710
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
[cyclopentyloxy(methoxy)methyl]benzene
CID 54296518
bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene
CID 87156168
[methoxy(2-methoxyethoxy)methyl]benzene
CID 139725330
(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol
CID 7074499
N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740417
[methoxy(prop-2-ynoxy)methyl]benzene
CID 150071968
3-[[phenyl(7-thiabicyclo[4.1.0]heptan-3-ylmethoxy)methoxy]methyl]-7-thiabicyclo[4.1.0]heptane
CID 21053249
3-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropanoic acid
CID 64560568
(3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol
CID 97240092

Frequently Asked Questions

What is the IUPAC name of [cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene?
The IUPAC name of [cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene (CID 145422856) is [cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene.
What is the SMILES notation for [cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene?
The canonical SMILES for [cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene is COC(OCC1CC=CCC1)c1ccccc1.
What is the InChIKey of [cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene?
The InChIKey is BLRGTIFVLVPLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-16-15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-4,6-7,10-11,13,15H,5,8-9,12H2,1H3.
What are the key properties of [cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene?
[cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene has a molecular weight of 232.32 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene is sourced from PubChem (CID 145422856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).