(2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal

C16H30O2 — CID 10800967

IUPAC(2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal
SMILESCCC/C=C/[C@H](O)[C@H](C=O)CCCCCCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-8-9-11-12-15(14-17)16(18)13-10-6-4-2/h10,13-16,18H,3-9,11-12H2,1-2H3/b13-10+/t15-,16-/m0/s1
InChIKeyVPBCPVKVAYTQFO-TZCWYCDXSA-N
MW254.41 g/mol
LogP4.27
Rot. Bonds12

About (2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal

(2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal (PubChem CID 10800967) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal.

Molecular Properties

Compound Name(2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal
PubChem CID10800967
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal
SMILESCCC/C=C/[C@H](O)[C@H](C=O)CCCCCCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-8-9-11-12-15(14-17)16(18)13-10-6-4-2/h10,13-16,18H,3-9,11-12H2,1-2H3/b13-10+/t15-,16-/m0/s1
InChIKeyVPBCPVKVAYTQFO-TZCWYCDXSA-N
XLogP4.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.27
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

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CID 142420349
2-(dihydroxymethyl)heptanal
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CID 10799386
2-(1-hydroxy-2-methylpropyl)decanal
CID 15369590
(E,2R,3R)-2-amino-3-hydroxyoctadec-4-enal
CID 139024678
9,10-dioctyloctadeca-7,11-diene
CID 173120989
N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxydodecanamide
CID 138226244
N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-2-hydroxytetradecanamide
CID 138294864
(E)-6-ethylundec-4-ene
CID 140796673
(E)-2-hydroxyoctadec-9-enal
CID 88545157
N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-3-hydroxypentadecanamide
CID 138287191
N-[(4E,8E,12E)-1,3-dihydroxyhexadeca-4,8,12-trien-2-yl]-3-hydroxyicosanamide
CID 138167355

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal?
The IUPAC name of (2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal (CID 10800967) is (2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal.
What is the SMILES notation for (2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal?
The canonical SMILES for (2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal is CCC/C=C/[C@H](O)[C@H](C=O)CCCCCCCC.
What is the InChIKey of (2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal?
The InChIKey is VPBCPVKVAYTQFO-TZCWYCDXSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-7-8-9-11-12-15(14-17)16(18)13-10-6-4-2/h10,13-16,18H,3-9,11-12H2,1-2H3/b13-10+/t15-,16-/m0/s1.
What are the key properties of (2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal?
(2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal has a molecular weight of 254.41 g/mol, XLogP of 4.27, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal is sourced from PubChem (CID 10800967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).