6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene

C11H22O3 — CID 89357161

IUPAC6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene
SMILESC=CCCCCOC(COC)COC
InChIInChI=1S/C11H22O3/c1-4-5-6-7-8-14-11(9-12-2)10-13-3/h4,11H,1,5-10H2,2-3H3
InChIKeyKZVFMMKYZSSXAY-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.02
Rot. Bonds10

About 6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene

6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene (PubChem CID 89357161) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene.

Molecular Properties

Compound Name6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene
PubChem CID89357161
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene
SMILESC=CCCCCOC(COC)COC
InChIInChI=1S/C11H22O3/c1-4-5-6-7-8-14-11(9-12-2)10-13-3/h4,11H,1,5-10H2,2-3H3
InChIKeyKZVFMMKYZSSXAY-UHFFFAOYSA-N
XLogP2.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene?
The IUPAC name of 6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene (CID 89357161) is 6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene.
What is the SMILES notation for 6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene?
The canonical SMILES for 6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene is C=CCCCCOC(COC)COC.
What is the InChIKey of 6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene?
The InChIKey is KZVFMMKYZSSXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-5-6-7-8-14-11(9-12-2)10-13-3/h4,11H,1,5-10H2,2-3H3.
What are the key properties of 6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene?
6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene has a molecular weight of 202.29 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethoxypropan-2-yloxy)hex-1-ene is sourced from PubChem (CID 89357161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).