1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene

C11H22O3 — CID 88634605

IUPAC1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene
SMILESCOCCC=C(CCOC)CCOC
InChIInChI=1S/C11H22O3/c1-12-8-4-5-11(6-9-13-2)7-10-14-3/h5H,4,6-10H2,1-3H3
InChIKeyCTISFPCQKCOYEG-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.02
Rot. Bonds9

About 1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene

1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene (PubChem CID 88634605) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene.

Molecular Properties

Compound Name1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene
PubChem CID88634605
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene
SMILESCOCCC=C(CCOC)CCOC
InChIInChI=1S/C11H22O3/c1-12-8-4-5-11(6-9-13-2)7-10-14-3/h5H,4,6-10H2,1-3H3
InChIKeyCTISFPCQKCOYEG-UHFFFAOYSA-N
XLogP2.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
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 1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene?
The IUPAC name of 1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene (CID 88634605) is 1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene.
What is the SMILES notation for 1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene?
The canonical SMILES for 1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene is COCCC=C(CCOC)CCOC.
What is the InChIKey of 1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene?
The InChIKey is CTISFPCQKCOYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-12-8-4-5-11(6-9-13-2)7-10-14-3/h5H,4,6-10H2,1-3H3.
What are the key properties of 1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene?
1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene has a molecular weight of 202.29 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene is sourced from PubChem (CID 88634605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).