(Z)-3-[hydroxy(phenyl)methyl]dec-2-enal

C17H24O2 — CID 134907233

IUPAC(Z)-3-[hydroxy(phenyl)methyl]dec-2-enal
SMILESCCCCCCC/C(=C/C=O)C(O)c1ccccc1
InChIInChI=1S/C17H24O2/c1-2-3-4-5-7-12-16(13-14-18)17(19)15-10-8-6-9-11-15/h6,8-11,13-14,17,19H,2-5,7,12H2,1H3/b16-13-
InChIKeyTVESLQLAODVYDY-SSZFMOIBSA-N
MW260.38 g/mol
LogP4.21
Rot. Bonds9

About (Z)-3-[hydroxy(phenyl)methyl]dec-2-enal

(Z)-3-[hydroxy(phenyl)methyl]dec-2-enal (PubChem CID 134907233) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (Z)-3-[hydroxy(phenyl)methyl]dec-2-enal.

Molecular Properties

Compound Name(Z)-3-[hydroxy(phenyl)methyl]dec-2-enal
PubChem CID134907233
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(Z)-3-[hydroxy(phenyl)methyl]dec-2-enal
SMILESCCCCCCC/C(=C/C=O)C(O)c1ccccc1
InChIInChI=1S/C17H24O2/c1-2-3-4-5-7-12-16(13-14-18)17(19)15-10-8-6-9-11-15/h6,8-11,13-14,17,19H,2-5,7,12H2,1H3/b16-13-
InChIKeyTVESLQLAODVYDY-SSZFMOIBSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[hydroxy(phenyl)methyl]dec-2-enal?
The IUPAC name of (Z)-3-[hydroxy(phenyl)methyl]dec-2-enal (CID 134907233) is (Z)-3-[hydroxy(phenyl)methyl]dec-2-enal.
What is the SMILES notation for (Z)-3-[hydroxy(phenyl)methyl]dec-2-enal?
The canonical SMILES for (Z)-3-[hydroxy(phenyl)methyl]dec-2-enal is CCCCCCC/C(=C/C=O)C(O)c1ccccc1.
What is the InChIKey of (Z)-3-[hydroxy(phenyl)methyl]dec-2-enal?
The InChIKey is TVESLQLAODVYDY-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-3-4-5-7-12-16(13-14-18)17(19)15-10-8-6-9-11-15/h6,8-11,13-14,17,19H,2-5,7,12H2,1H3/b16-13-.
What are the key properties of (Z)-3-[hydroxy(phenyl)methyl]dec-2-enal?
(Z)-3-[hydroxy(phenyl)methyl]dec-2-enal has a molecular weight of 260.38 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[hydroxy(phenyl)methyl]dec-2-enal is sourced from PubChem (CID 134907233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).