2-methoxyoxepane

C7H14O2 — CID 24974084

IUPAC2-methoxyoxepane
SMILESCOC1CCCCCO1
InChIInChI=1S/C7H14O2/c1-8-7-5-3-2-4-6-9-7/h7H,2-6H2,1H3
InChIKeyIFVVKDDPPFFXQC-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.55
Rot. Bonds1

About 2-methoxyoxepane

2-methoxyoxepane (PubChem CID 24974084) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-methoxyoxepane.

Molecular Properties

Compound Name2-methoxyoxepane
PubChem CID24974084
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-methoxyoxepane
SMILESCOC1CCCCCO1
InChIInChI=1S/C7H14O2/c1-8-7-5-3-2-4-6-9-7/h7H,2-6H2,1H3
InChIKeyIFVVKDDPPFFXQC-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methoxycyclohexane;methoxycyclopentane;2-methoxyoxane;2-methoxyoxolane
CID 157095286
ethane;formaldehyde;methane;2-methoxyoxane
CID 161263277
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
2-methoxyoxane;3-methyl-2-methylideneoxetane
CID 161197954
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
2-cycloheptyloxyoxane
CID 11735764
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane
CID 134833646
2-[(E)-prop-1-enoxy]oxane
CID 12835881
dimethyl-methylidene-(oxan-2-yloxy)-λ5-iodane
CID 163749083
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-(2-chloroethoxy)oxepane
CID 24977653
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198

Frequently Asked Questions

What is the IUPAC name of 2-methoxyoxepane?
The IUPAC name of 2-methoxyoxepane (CID 24974084) is 2-methoxyoxepane.
What is the SMILES notation for 2-methoxyoxepane?
The canonical SMILES for 2-methoxyoxepane is COC1CCCCCO1.
What is the InChIKey of 2-methoxyoxepane?
The InChIKey is IFVVKDDPPFFXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-8-7-5-3-2-4-6-9-7/h7H,2-6H2,1H3.
What are the key properties of 2-methoxyoxepane?
2-methoxyoxepane has a molecular weight of 130.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyoxepane is sourced from PubChem (CID 24974084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).