(Z)-6,6,6-trideuteriohex-3-enal

C6H10O — CID 10441654

IUPAC(Z)-6,6,6-trideuteriohex-3-enal
SMILES[2H]C([2H])([2H])C/C=C\CC=O
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-/i1D3
InChIKeyGXANMBISFKBPEX-SVDZDFQPSA-N
MW101.16 g/mol
LogP1.54
Rot. Bonds4

About (Z)-6,6,6-trideuteriohex-3-enal

(Z)-6,6,6-trideuteriohex-3-enal (PubChem CID 10441654) has the molecular formula C6H10O and a molecular weight of 101.16 g/mol. Its IUPAC name is (Z)-6,6,6-trideuteriohex-3-enal.

Molecular Properties

Compound Name(Z)-6,6,6-trideuteriohex-3-enal
PubChem CID10441654
Molecular FormulaC6H10O
Molecular Weight101.16 g/mol
Exact Mass101.09
IUPAC Name(Z)-6,6,6-trideuteriohex-3-enal
SMILES[2H]C([2H])([2H])C/C=C\CC=O
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-/i1D3
InChIKeyGXANMBISFKBPEX-SVDZDFQPSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.16
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-hex-3-enal
CID 162039404
henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
5-(dimethylamino)pent-3-enal
CID 174058957
6-methylhept-3-enal
CID 91484741
docosa-4,8,12,15,19-pentaenal
CID 54481142
(Z)-6-oxohept-3-enal
CID 134987885
(Z)-4-(2-methylphenyl)but-3-enal
CID 117268062
(3E)-7-oxohepta-3,6-dienal
CID 123247674
(E)-6-bromohex-3-enal
CID 131237482
pentadeca-3,6,9,12-tetraene
CID 123748490
tetradec-3-enal
CID 57184659

Frequently Asked Questions

What is the IUPAC name of (Z)-6,6,6-trideuteriohex-3-enal?
The IUPAC name of (Z)-6,6,6-trideuteriohex-3-enal (CID 10441654) is (Z)-6,6,6-trideuteriohex-3-enal.
What is the SMILES notation for (Z)-6,6,6-trideuteriohex-3-enal?
The canonical SMILES for (Z)-6,6,6-trideuteriohex-3-enal is [2H]C([2H])([2H])C/C=C\CC=O.
What is the InChIKey of (Z)-6,6,6-trideuteriohex-3-enal?
The InChIKey is GXANMBISFKBPEX-SVDZDFQPSA-N. The full InChI is InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-/i1D3.
What are the key properties of (Z)-6,6,6-trideuteriohex-3-enal?
(Z)-6,6,6-trideuteriohex-3-enal has a molecular weight of 101.16 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6,6-trideuteriohex-3-enal is sourced from PubChem (CID 10441654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).