Cyclopentylmethyl ether-water

C6H14O2 — CID 141757339

IUPACmethoxycyclopentane;hydrate
SMILESCOC1CCCC1.O
InChIInChI=1S/C6H12O.H2O/c1-7-6-4-2-3-5-6;/h6H,2-5H2,1H3;1H2
InChIKeyZUOXWZXWFAIHJM-UHFFFAOYSA-N
MW118.17 g/mol
LogP—
Rot. Bonds1

About Cyclopentylmethyl ether-water

Cyclopentylmethyl ether-water (PubChem CID 141757339) has the molecular formula C6H14O2 and a molecular weight of 118.17 g/mol. Its IUPAC name is methoxycyclopentane;hydrate.

Molecular Properties

Compound NameCyclopentylmethyl ether-water
PubChem CID141757339
Molecular FormulaC6H14O2
Molecular Weight118.17 g/mol
Exact Mass118.10
IUPAC Namemethoxycyclopentane;hydrate
SMILESCOC1CCCC1.O
InChIInChI=1S/C6H12O.H2O/c1-7-6-4-2-3-5-6;/h6H,2-5H2,1H3;1H2
InChIKeyZUOXWZXWFAIHJM-UHFFFAOYSA-N
XLogP—
TPSA10.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity46

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Cyclopentylmethyl ether-water?
The IUPAC name of Cyclopentylmethyl ether-water (CID 141757339) is methoxycyclopentane;hydrate.
What is the SMILES notation for Cyclopentylmethyl ether-water?
The canonical SMILES for Cyclopentylmethyl ether-water is COC1CCCC1.O.
What is the InChIKey of Cyclopentylmethyl ether-water?
The InChIKey is ZUOXWZXWFAIHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.H2O/c1-7-6-4-2-3-5-6;/h6H,2-5H2,1H3;1H2.
What are the key properties of Cyclopentylmethyl ether-water?
Cyclopentylmethyl ether-water has a molecular weight of 118.17 g/mol, XLogP of not available, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclopentylmethyl ether-water is sourced from PubChem (CID 141757339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).