(Z)-1-(1,1-dimethoxyethoxy)prop-1-ene

C7H14O3 — CID 5463433

IUPAC(Z)-1-(1,1-dimethoxyethoxy)prop-1-ene
SMILESC/C=C\OC(C)(OC)OC
InChIInChI=1S/C7H14O3/c1-5-6-10-7(2,8-3)9-4/h5-6H,1-4H3/b6-5-
InChIKeyXJZFAGYWNJDGRK-WAYWQWQTSA-N
MW146.19 g/mol
LogP1.50
Rot. Bonds4

About (Z)-1-(1,1-dimethoxyethoxy)prop-1-ene

(Z)-1-(1,1-dimethoxyethoxy)prop-1-ene (PubChem CID 5463433) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (Z)-1-(1,1-dimethoxyethoxy)prop-1-ene.

Molecular Properties

Compound Name(Z)-1-(1,1-dimethoxyethoxy)prop-1-ene
PubChem CID5463433
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(Z)-1-(1,1-dimethoxyethoxy)prop-1-ene
SMILESC/C=C\OC(C)(OC)OC
InChIInChI=1S/C7H14O3/c1-5-6-10-7(2,8-3)9-4/h5-6H,1-4H3/b6-5-
InChIKeyXJZFAGYWNJDGRK-WAYWQWQTSA-N
XLogP1.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,1-dimethoxyethoxy)prop-1-ene?
The IUPAC name of (Z)-1-(1,1-dimethoxyethoxy)prop-1-ene (CID 5463433) is (Z)-1-(1,1-dimethoxyethoxy)prop-1-ene.
What is the SMILES notation for (Z)-1-(1,1-dimethoxyethoxy)prop-1-ene?
The canonical SMILES for (Z)-1-(1,1-dimethoxyethoxy)prop-1-ene is C/C=C\OC(C)(OC)OC.
What is the InChIKey of (Z)-1-(1,1-dimethoxyethoxy)prop-1-ene?
The InChIKey is XJZFAGYWNJDGRK-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-6-10-7(2,8-3)9-4/h5-6H,1-4H3/b6-5-.
What are the key properties of (Z)-1-(1,1-dimethoxyethoxy)prop-1-ene?
(Z)-1-(1,1-dimethoxyethoxy)prop-1-ene has a molecular weight of 146.19 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,1-dimethoxyethoxy)prop-1-ene is sourced from PubChem (CID 5463433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).