3-methoxycyclopentan-1-one;molecular hydrogen

C6H12O2 — CID 142607511

IUPAC3-methoxycyclopentan-1-one;molecular hydrogen
SMILESCOC1CCC(=O)C1.[H][H]
InChIInChI=1S/C6H10O2.H2/c1-8-6-3-2-5(7)4-6;/h6H,2-4H2,1H3;1H
InChIKeyZXDCEZMIBRFFGJ-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.00
Rot. Bonds1

About 3-methoxycyclopentan-1-one;molecular hydrogen

3-methoxycyclopentan-1-one;molecular hydrogen (PubChem CID 142607511) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-methoxycyclopentan-1-one;molecular hydrogen.

Molecular Properties

Compound Name3-methoxycyclopentan-1-one;molecular hydrogen
PubChem CID142607511
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-methoxycyclopentan-1-one;molecular hydrogen
SMILESCOC1CCC(=O)C1.[H][H]
InChIInChI=1S/C6H10O2.H2/c1-8-6-3-2-5(7)4-6;/h6H,2-4H2,1H3;1H
InChIKeyZXDCEZMIBRFFGJ-UHFFFAOYSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycyclopentan-1-one;molecular hydrogen?
The IUPAC name of 3-methoxycyclopentan-1-one;molecular hydrogen (CID 142607511) is 3-methoxycyclopentan-1-one;molecular hydrogen.
What is the SMILES notation for 3-methoxycyclopentan-1-one;molecular hydrogen?
The canonical SMILES for 3-methoxycyclopentan-1-one;molecular hydrogen is COC1CCC(=O)C1.[H][H].
What is the InChIKey of 3-methoxycyclopentan-1-one;molecular hydrogen?
The InChIKey is ZXDCEZMIBRFFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.H2/c1-8-6-3-2-5(7)4-6;/h6H,2-4H2,1H3;1H.
What are the key properties of 3-methoxycyclopentan-1-one;molecular hydrogen?
3-methoxycyclopentan-1-one;molecular hydrogen has a molecular weight of 116.16 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycyclopentan-1-one;molecular hydrogen is sourced from PubChem (CID 142607511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).