(Z)-5,5-diethoxy-3-methylpent-2-enal

C10H18O3 — CID 5324027

IUPAC(Z)-5,5-diethoxy-3-methylpent-2-enal
SMILESCCOC(C/C(C)=C\C=O)OCC
InChIInChI=1S/C10H18O3/c1-4-12-10(13-5-2)8-9(3)6-7-11/h6-7,10H,4-5,8H2,1-3H3/b9-6-
InChIKeyDMCAMSMCWBWYFR-TWGQIWQCSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds7

About (Z)-5,5-diethoxy-3-methylpent-2-enal

(Z)-5,5-diethoxy-3-methylpent-2-enal (PubChem CID 5324027) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (Z)-5,5-diethoxy-3-methylpent-2-enal.

Molecular Properties

Compound Name(Z)-5,5-diethoxy-3-methylpent-2-enal
PubChem CID5324027
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(Z)-5,5-diethoxy-3-methylpent-2-enal
SMILESCCOC(C/C(C)=C\C=O)OCC
InChIInChI=1S/C10H18O3/c1-4-12-10(13-5-2)8-9(3)6-7-11/h6-7,10H,4-5,8H2,1-3H3/b9-6-
InChIKeyDMCAMSMCWBWYFR-TWGQIWQCSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5,5-diethoxy-3-methylpent-2-enal
CID 5324026
(2E)-5,5-diethoxy-2-pentenal
CID 10511392
(E)-5,5-diethoxy-2-methylpent-2-enal
CID 15374332
5,5-Diethoxypent-2-enal
CID 71353644
(E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal
CID 10932159
(Z)-5-(methoxymethoxy)-3-trimethylstannylpent-2-enal
CID 14591870
(E)-2-methyl-5,5-di(propan-2-yloxy)pent-2-enal
CID 44521255
(E)-6,6-diethoxy-4-methylhex-3-en-2-one
CID 134868169
(E)-5,5-dimethoxy-3-methylpent-2-enal
CID 13917063
1,1-diethoxyethane;(2E)-3,7-dimethylocta-2,6-dienal
CID 19801392
5,5-Diethoxy-3-methyl-2-pentenal
CID 53767196
5,5-Dimethoxy-2,4-dimethylpent-2-enal
CID 54143476

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-diethoxy-3-methylpent-2-enal?
The IUPAC name of (Z)-5,5-diethoxy-3-methylpent-2-enal (CID 5324027) is (Z)-5,5-diethoxy-3-methylpent-2-enal.
What is the SMILES notation for (Z)-5,5-diethoxy-3-methylpent-2-enal?
The canonical SMILES for (Z)-5,5-diethoxy-3-methylpent-2-enal is CCOC(C/C(C)=C\C=O)OCC.
What is the InChIKey of (Z)-5,5-diethoxy-3-methylpent-2-enal?
The InChIKey is DMCAMSMCWBWYFR-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-12-10(13-5-2)8-9(3)6-7-11/h6-7,10H,4-5,8H2,1-3H3/b9-6-.
What are the key properties of (Z)-5,5-diethoxy-3-methylpent-2-enal?
(Z)-5,5-diethoxy-3-methylpent-2-enal has a molecular weight of 186.25 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-diethoxy-3-methylpent-2-enal is sourced from PubChem (CID 5324027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).