1,3-dimethoxycyclopentane

C7H14O2 — CID 551718

IUPAC1,3-dimethoxycyclopentane
SMILESCOC1CCC(OC)C1
InChIInChI=1S/C7H14O2/c1-8-6-3-4-7(5-6)9-2/h6-7H,3-5H2,1-2H3
InChIKeyQBRPYJDRWAUJGP-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.20
Rot. Bonds2

About 1,3-dimethoxycyclopentane

1,3-dimethoxycyclopentane (PubChem CID 551718) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,3-dimethoxycyclopentane.

Molecular Properties

Compound Name1,3-dimethoxycyclopentane
PubChem CID551718
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1,3-dimethoxycyclopentane
SMILESCOC1CCC(OC)C1
InChIInChI=1S/C7H14O2/c1-8-6-3-4-7(5-6)9-2/h6-7H,3-5H2,1-2H3
InChIKeyQBRPYJDRWAUJGP-UHFFFAOYSA-N
XLogP1.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxycyclopentane?
The IUPAC name of 1,3-dimethoxycyclopentane (CID 551718) is 1,3-dimethoxycyclopentane.
What is the SMILES notation for 1,3-dimethoxycyclopentane?
The canonical SMILES for 1,3-dimethoxycyclopentane is COC1CCC(OC)C1.
What is the InChIKey of 1,3-dimethoxycyclopentane?
The InChIKey is QBRPYJDRWAUJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-8-6-3-4-7(5-6)9-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethoxycyclopentane?
1,3-dimethoxycyclopentane has a molecular weight of 130.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxycyclopentane is sourced from PubChem (CID 551718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).