1,3-dimethoxypropan-2-ylidenecyclopentane

C10H18O2 — CID 57051731

IUPAC1,3-dimethoxypropan-2-ylidenecyclopentane
SMILESCOCC(COC)=C1CCCC1
InChIInChI=1S/C10H18O2/c1-11-7-10(8-12-2)9-5-3-4-6-9/h3-8H2,1-2H3
InChIKeyKOPLDKFNUHSIIB-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds4

About 1,3-dimethoxypropan-2-ylidenecyclopentane

1,3-dimethoxypropan-2-ylidenecyclopentane (PubChem CID 57051731) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1,3-dimethoxypropan-2-ylidenecyclopentane.

Molecular Properties

Compound Name1,3-dimethoxypropan-2-ylidenecyclopentane
PubChem CID57051731
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1,3-dimethoxypropan-2-ylidenecyclopentane
SMILESCOCC(COC)=C1CCCC1
InChIInChI=1S/C10H18O2/c1-11-7-10(8-12-2)9-5-3-4-6-9/h3-8H2,1-2H3
InChIKeyKOPLDKFNUHSIIB-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxypropan-2-ylidenecyclopentane?
The IUPAC name of 1,3-dimethoxypropan-2-ylidenecyclopentane (CID 57051731) is 1,3-dimethoxypropan-2-ylidenecyclopentane.
What is the SMILES notation for 1,3-dimethoxypropan-2-ylidenecyclopentane?
The canonical SMILES for 1,3-dimethoxypropan-2-ylidenecyclopentane is COCC(COC)=C1CCCC1.
What is the InChIKey of 1,3-dimethoxypropan-2-ylidenecyclopentane?
The InChIKey is KOPLDKFNUHSIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-11-7-10(8-12-2)9-5-3-4-6-9/h3-8H2,1-2H3.
What are the key properties of 1,3-dimethoxypropan-2-ylidenecyclopentane?
1,3-dimethoxypropan-2-ylidenecyclopentane has a molecular weight of 170.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxypropan-2-ylidenecyclopentane is sourced from PubChem (CID 57051731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).