4,4-diethoxy-1-prop-1-enoxypentane

C12H24O3 — CID 151988040

IUPAC4,4-diethoxy-1-prop-1-enoxypentane
SMILESCC=COCCCC(C)(OCC)OCC
InChIInChI=1S/C12H24O3/c1-5-10-13-11-8-9-12(4,14-6-2)15-7-3/h5,10H,6-9,11H2,1-4H3
InChIKeyUEBPHPIPOQBFAE-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.11
Rot. Bonds9

About 4,4-diethoxy-1-prop-1-enoxypentane

4,4-diethoxy-1-prop-1-enoxypentane (PubChem CID 151988040) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4,4-diethoxy-1-prop-1-enoxypentane.

Molecular Properties

Compound Name4,4-diethoxy-1-prop-1-enoxypentane
PubChem CID151988040
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name4,4-diethoxy-1-prop-1-enoxypentane
SMILESCC=COCCCC(C)(OCC)OCC
InChIInChI=1S/C12H24O3/c1-5-10-13-11-8-9-12(4,14-6-2)15-7-3/h5,10H,6-9,11H2,1-4H3
InChIKeyUEBPHPIPOQBFAE-UHFFFAOYSA-N
XLogP3.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
1,10-bis(prop-1-enoxy)decane
CID 54271291
2,2,5,5-tetraethoxyhexane
CID 42611383
[1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane
CID 123385784
1-prop-1-enoxydecane
CID 54116737
2,2-diethoxynonane
CID 89439020
5,5-diethoxyhexanoic acid
CID 174569404
ethoxy-dimethoxy-(3-prop-1-enoxypropyl)silane
CID 141005054
1-but-1-enoxy-4-(triethoxymethyl)dodecane;1-prop-1-enoxy-4-(trimethoxymethyl)dodecane
CID 162010772
1-prop-1-enoxy-4-(tributoxymethyl)dodecane
CID 150147229
phosphoric acid;1-prop-1-enoxydodecane
CID 175408861
methoxy-methyl-[(2-methylpropan-2-yl)oxy]-(3-prop-1-enoxypropyl)silane
CID 141299750

Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxy-1-prop-1-enoxypentane?
The IUPAC name of 4,4-diethoxy-1-prop-1-enoxypentane (CID 151988040) is 4,4-diethoxy-1-prop-1-enoxypentane.
What is the SMILES notation for 4,4-diethoxy-1-prop-1-enoxypentane?
The canonical SMILES for 4,4-diethoxy-1-prop-1-enoxypentane is CC=COCCCC(C)(OCC)OCC.
What is the InChIKey of 4,4-diethoxy-1-prop-1-enoxypentane?
The InChIKey is UEBPHPIPOQBFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-10-13-11-8-9-12(4,14-6-2)15-7-3/h5,10H,6-9,11H2,1-4H3.
What are the key properties of 4,4-diethoxy-1-prop-1-enoxypentane?
4,4-diethoxy-1-prop-1-enoxypentane has a molecular weight of 216.32 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxy-1-prop-1-enoxypentane is sourced from PubChem (CID 151988040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).