3-benzyl-2-methoxyoxane

C13H18O2 — CID 13382528

IUPAC3-benzyl-2-methoxyoxane
SMILESCOC1OCCCC1Cc1ccccc1
InChIInChI=1S/C13H18O2/c1-14-13-12(8-5-9-15-13)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3
InChIKeyICSOMFULASAUCR-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.63
Rot. Bonds3

About 3-benzyl-2-methoxyoxane

3-benzyl-2-methoxyoxane (PubChem CID 13382528) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-benzyl-2-methoxyoxane.

Molecular Properties

Compound Name3-benzyl-2-methoxyoxane
PubChem CID13382528
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-benzyl-2-methoxyoxane
SMILESCOC1OCCCC1Cc1ccccc1
InChIInChI=1S/C13H18O2/c1-14-13-12(8-5-9-15-13)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3
InChIKeyICSOMFULASAUCR-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-methoxy-3-phenylmethoxyoxane
CID 139918795
2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane
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(2-benzyloxan-3-yl)methanamine
CID 79367759
[(1S,2R)-2-methoxycyclopropyl]methylbenzene
CID 100914167
acetamide;acetylene;(2S)-2-benzyloxolane;ethane
CID 144598785
2-benzyloxepane
CID 14272917
(2S,3S)-3-benzyloxolan-2-ol
CID 86339403
4-[(2-methoxyoxetan-3-yl)methyl]phenol
CID 174284094
CID 162338619
CID 162338619
N,N-dimethyl-2-phenoxyoxan-3-amine
CID 3049304
(3R,4S)-3-benzyl-4-methoxypyrrolidine
CID 59265809
2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile
CID 99792150

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methoxyoxane?
The IUPAC name of 3-benzyl-2-methoxyoxane (CID 13382528) is 3-benzyl-2-methoxyoxane.
What is the SMILES notation for 3-benzyl-2-methoxyoxane?
The canonical SMILES for 3-benzyl-2-methoxyoxane is COC1OCCCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methoxyoxane?
The InChIKey is ICSOMFULASAUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-14-13-12(8-5-9-15-13)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3.
What are the key properties of 3-benzyl-2-methoxyoxane?
3-benzyl-2-methoxyoxane has a molecular weight of 206.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methoxyoxane is sourced from PubChem (CID 13382528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).