1,4-dimethoxy-2-methylcyclopentane

C8H16O2 — CID 170203002

IUPAC1,4-dimethoxy-2-methylcyclopentane
SMILESCOC1CC(C)C(OC)C1
InChIInChI=1S/C8H16O2/c1-6-4-7(9-2)5-8(6)10-3/h6-8H,4-5H2,1-3H3
InChIKeyQCVXTOVXWJUIAC-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.45
Rot. Bonds2

About 1,4-dimethoxy-2-methylcyclopentane

1,4-dimethoxy-2-methylcyclopentane (PubChem CID 170203002) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1,4-dimethoxy-2-methylcyclopentane.

Molecular Properties

Compound Name1,4-dimethoxy-2-methylcyclopentane
PubChem CID170203002
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1,4-dimethoxy-2-methylcyclopentane
SMILESCOC1CC(C)C(OC)C1
InChIInChI=1S/C8H16O2/c1-6-4-7(9-2)5-8(6)10-3/h6-8H,4-5H2,1-3H3
InChIKeyQCVXTOVXWJUIAC-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-methylcyclopentane?
The IUPAC name of 1,4-dimethoxy-2-methylcyclopentane (CID 170203002) is 1,4-dimethoxy-2-methylcyclopentane.
What is the SMILES notation for 1,4-dimethoxy-2-methylcyclopentane?
The canonical SMILES for 1,4-dimethoxy-2-methylcyclopentane is COC1CC(C)C(OC)C1.
What is the InChIKey of 1,4-dimethoxy-2-methylcyclopentane?
The InChIKey is QCVXTOVXWJUIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-4-7(9-2)5-8(6)10-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,4-dimethoxy-2-methylcyclopentane?
1,4-dimethoxy-2-methylcyclopentane has a molecular weight of 144.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-methylcyclopentane is sourced from PubChem (CID 170203002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).