(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal

C10H16O — CID 21118712

IUPAC(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal
SMILESC=C(C)[C@H](C=O)CC=C(C)C
InChIInChI=1S/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5,7,10H,3,6H2,1-2,4H3/t10-/m0/s1
InChIKeyPAIVGFRXYIGODL-JTQLQIEISA-N
MW152.24 g/mol
LogP2.73
Rot. Bonds4

About (2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal

(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal (PubChem CID 21118712) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal.

Molecular Properties

Compound Name(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal
PubChem CID21118712
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal
SMILESC=C(C)[C@H](C=O)CC=C(C)C
InChIInChI=1S/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5,7,10H,3,6H2,1-2,4H3/t10-/m0/s1
InChIKeyPAIVGFRXYIGODL-JTQLQIEISA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of (2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal?
The IUPAC name of (2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal (CID 21118712) is (2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal.
What is the SMILES notation for (2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal?
The canonical SMILES for (2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal is C=C(C)[C@H](C=O)CC=C(C)C.
What is the InChIKey of (2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal?
The InChIKey is PAIVGFRXYIGODL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5,7,10H,3,6H2,1-2,4H3/t10-/m0/s1.
What are the key properties of (2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal?
(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal has a molecular weight of 152.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methyl-2-prop-1-en-2-ylhex-4-enal is sourced from PubChem (CID 21118712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).