(E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal

C10H18O3 — CID 10932159

IUPAC(E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal
SMILESCOC(C)(C)OCC/C(C)=C/C=O
InChIInChI=1S/C10H18O3/c1-9(5-7-11)6-8-13-10(2,3)12-4/h5,7H,6,8H2,1-4H3/b9-5+
InChIKeyVZSQUNBCRKIROA-WEVVVXLNSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds6

About (E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal

(E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal (PubChem CID 10932159) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal.

Molecular Properties

Compound Name(E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal
PubChem CID10932159
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal
SMILESCOC(C)(C)OCC/C(C)=C/C=O
InChIInChI=1S/C10H18O3/c1-9(5-7-11)6-8-13-10(2,3)12-4/h5,7H,6,8H2,1-4H3/b9-5+
InChIKeyVZSQUNBCRKIROA-WEVVVXLNSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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
(E)-5,5-diethoxy-2-methylpent-2-enal
CID 15374332
(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
(Z)-5,5-diethoxy-3-methylpent-2-enal
CID 5324027
(E)-5,5-dimethoxy-3-methylpent-2-enal
CID 13917063
5,5-Diethoxy-3-methyl-2-pentenal
CID 53767196
5,5-Dimethoxy-3-methylpent-2-enal
CID 54230990
2-Methyl-2-hepten-6-on-1-al dimethylacetal
CID 131709912
6,6-Diethoxy-2-methylhept-2-enal
CID 154425101
2-Methyl-6,6-dipropoxyhept-2-enal
CID 164013369
(E)-5,5-diethoxy-2,3-dimethylpent-2-enal
CID 10867344

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal?
The IUPAC name of (E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal (CID 10932159) is (E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal.
What is the SMILES notation for (E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal?
The canonical SMILES for (E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal is COC(C)(C)OCC/C(C)=C/C=O.
What is the InChIKey of (E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal?
The InChIKey is VZSQUNBCRKIROA-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(5-7-11)6-8-13-10(2,3)12-4/h5,7H,6,8H2,1-4H3/b9-5+.
What are the key properties of (E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal?
(E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal has a molecular weight of 186.25 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal is sourced from PubChem (CID 10932159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).