(Z,3R)-3-hydroxydodec-5-enal

C12H22O2 — CID 173358964

IUPAC(Z,3R)-3-hydroxydodec-5-enal
SMILESCCCCCC/C=C\C[C@@H](O)CC=O
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h7-8,11-12,14H,2-6,9-10H2,1H3/b8-7-/t12-/m1/s1
InChIKeyFDUFSVDRSBEGDI-QDZRJHCZSA-N
MW198.31 g/mol
LogP2.85
Rot. Bonds9

About (Z,3R)-3-hydroxydodec-5-enal

(Z,3R)-3-hydroxydodec-5-enal (PubChem CID 173358964) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (Z,3R)-3-hydroxydodec-5-enal.

Molecular Properties

Compound Name(Z,3R)-3-hydroxydodec-5-enal
PubChem CID173358964
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(Z,3R)-3-hydroxydodec-5-enal
SMILESCCCCCC/C=C\C[C@@H](O)CC=O
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h7-8,11-12,14H,2-6,9-10H2,1H3/b8-7-/t12-/m1/s1
InChIKeyFDUFSVDRSBEGDI-QDZRJHCZSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.85
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-hydroxyhexadec-9-enal
CID 175100822
(E)-12-hydroxyoctadec-9-enal
CID 87273358
3-hydroxytetradec-9-enal
CID 91388067
(E)-heptadec-7-en-5-ol
CID 122442571
(Z)-octadec-10-en-8-ol
CID 173051806
(Z)-pentadec-8-en-6-ol
CID 10398809
(E,10S)-henicos-7-en-10-ol
CID 14607531
1-aminotridec-4-en-2-ol
CID 73116703
3-hydroxytetradec-5-enoic acid
CID 73443469
(E)-dec-4-ene-1,2-diol
CID 13288576
(Z)-4-hydroxyoctadec-9-enal
CID 173341795
(2R,4R)-nonadec-6-ene-1,2,4-triol
CID 162937145

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-3-hydroxydodec-5-enal?
The IUPAC name of (Z,3R)-3-hydroxydodec-5-enal (CID 173358964) is (Z,3R)-3-hydroxydodec-5-enal.
What is the SMILES notation for (Z,3R)-3-hydroxydodec-5-enal?
The canonical SMILES for (Z,3R)-3-hydroxydodec-5-enal is CCCCCC/C=C\C[C@@H](O)CC=O.
What is the InChIKey of (Z,3R)-3-hydroxydodec-5-enal?
The InChIKey is FDUFSVDRSBEGDI-QDZRJHCZSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h7-8,11-12,14H,2-6,9-10H2,1H3/b8-7-/t12-/m1/s1.
What are the key properties of (Z,3R)-3-hydroxydodec-5-enal?
(Z,3R)-3-hydroxydodec-5-enal has a molecular weight of 198.31 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-3-hydroxydodec-5-enal is sourced from PubChem (CID 173358964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).