(Z)-1-(1-methoxyethoxy)hex-3-ene

C9H18O2 — CID 5365355

IUPAC(Z)-1-(1-methoxyethoxy)hex-3-ene
SMILESCC/C=C\CCOC(C)OC
InChIInChI=1S/C9H18O2/c1-4-5-6-7-8-11-9(2)10-3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
InChIKeyBFFNMPRAXYAFMS-WAYWQWQTSA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds6

About (Z)-1-(1-methoxyethoxy)hex-3-ene

(Z)-1-(1-methoxyethoxy)hex-3-ene (PubChem CID 5365355) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (Z)-1-(1-methoxyethoxy)hex-3-ene.

Molecular Properties

Compound Name(Z)-1-(1-methoxyethoxy)hex-3-ene
PubChem CID5365355
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(Z)-1-(1-methoxyethoxy)hex-3-ene
SMILESCC/C=C\CCOC(C)OC
InChIInChI=1S/C9H18O2/c1-4-5-6-7-8-11-9(2)10-3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
InChIKeyBFFNMPRAXYAFMS-WAYWQWQTSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-methoxyethoxy)hex-3-ene?
The IUPAC name of (Z)-1-(1-methoxyethoxy)hex-3-ene (CID 5365355) is (Z)-1-(1-methoxyethoxy)hex-3-ene.
What is the SMILES notation for (Z)-1-(1-methoxyethoxy)hex-3-ene?
The canonical SMILES for (Z)-1-(1-methoxyethoxy)hex-3-ene is CC/C=C\CCOC(C)OC.
What is the InChIKey of (Z)-1-(1-methoxyethoxy)hex-3-ene?
The InChIKey is BFFNMPRAXYAFMS-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-6-7-8-11-9(2)10-3/h5-6,9H,4,7-8H2,1-3H3/b6-5-.
What are the key properties of (Z)-1-(1-methoxyethoxy)hex-3-ene?
(Z)-1-(1-methoxyethoxy)hex-3-ene has a molecular weight of 158.24 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-methoxyethoxy)hex-3-ene is sourced from PubChem (CID 5365355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).