(Z)-1,4-bis(methoxymethoxy)pent-2-ene

C9H18O4 — CID 134887207

IUPAC(Z)-1,4-bis(methoxymethoxy)pent-2-ene
SMILESCOCOC/C=C\C(C)OCOC
InChIInChI=1S/C9H18O4/c1-9(13-8-11-3)5-4-6-12-7-10-2/h4-5,9H,6-8H2,1-3H3/b5-4-
InChIKeyKBHSCRBDMISFFH-PLNGDYQASA-N
MW190.24 g/mol
LogP1.17
Rot. Bonds8

About (Z)-1,4-bis(methoxymethoxy)pent-2-ene

(Z)-1,4-bis(methoxymethoxy)pent-2-ene (PubChem CID 134887207) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (Z)-1,4-bis(methoxymethoxy)pent-2-ene.

Molecular Properties

Compound Name(Z)-1,4-bis(methoxymethoxy)pent-2-ene
PubChem CID134887207
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(Z)-1,4-bis(methoxymethoxy)pent-2-ene
SMILESCOCOC/C=C\C(C)OCOC
InChIInChI=1S/C9H18O4/c1-9(13-8-11-3)5-4-6-12-7-10-2/h4-5,9H,6-8H2,1-3H3/b5-4-
InChIKeyKBHSCRBDMISFFH-PLNGDYQASA-N
XLogP1.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-1,4-bis(methoxymethoxy)pent-2-ene?
The IUPAC name of (Z)-1,4-bis(methoxymethoxy)pent-2-ene (CID 134887207) is (Z)-1,4-bis(methoxymethoxy)pent-2-ene.
What is the SMILES notation for (Z)-1,4-bis(methoxymethoxy)pent-2-ene?
The canonical SMILES for (Z)-1,4-bis(methoxymethoxy)pent-2-ene is COCOC/C=C\C(C)OCOC.
What is the InChIKey of (Z)-1,4-bis(methoxymethoxy)pent-2-ene?
The InChIKey is KBHSCRBDMISFFH-PLNGDYQASA-N. The full InChI is InChI=1S/C9H18O4/c1-9(13-8-11-3)5-4-6-12-7-10-2/h4-5,9H,6-8H2,1-3H3/b5-4-.
What are the key properties of (Z)-1,4-bis(methoxymethoxy)pent-2-ene?
(Z)-1,4-bis(methoxymethoxy)pent-2-ene has a molecular weight of 190.24 g/mol, XLogP of 1.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-bis(methoxymethoxy)pent-2-ene is sourced from PubChem (CID 134887207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).