(2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal

C10H18O2 — CID 11286714

IUPAC(2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
SMILESC[C@H](C=O)[C@@H](O)C1CCCCC1
InChIInChI=1S/C10H18O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h7-10,12H,2-6H2,1H3/t8-,10-/m1/s1
InChIKeyRZIDYHIPLPRCBQ-PSASIEDQSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds3

About (2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal

(2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal (PubChem CID 11286714) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal.

Molecular Properties

Compound Name(2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
PubChem CID11286714
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
SMILESC[C@H](C=O)[C@@H](O)C1CCCCC1
InChIInChI=1S/C10H18O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h7-10,12H,2-6H2,1H3/t8-,10-/m1/s1
InChIKeyRZIDYHIPLPRCBQ-PSASIEDQSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 62148
2-Nonanone, 3-(hydroxymethyl)-
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(2s,3r)-2-Hexyl-3-Hydroxynonanoic Acid
CID 53308656
Hemibourgeanic acid
CID 14753158
(16S)-1-cyclohexyl-16-hydroxydocosan-3-one
CID 162930733
5-Hydroxy-4-tetradecylicosan-3-one
CID 163111757
(3S,4S)-3-hydroxy-4-methyldecanoic acid
CID 70679119
2-Hydroxycyclohexanecarbaldehyde
CID 487881
2-(1-Hydroxyethyl)cyclohexan-1-one
CID 566745
Methyl 3-cyclohexyl-3-hydroxypropanoate
CID 10877839
3-Hydroxy-2-octyl-dodecanal
CID 11186057

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal?
The IUPAC name of (2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal (CID 11286714) is (2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal.
What is the SMILES notation for (2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal?
The canonical SMILES for (2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal is C[C@H](C=O)[C@@H](O)C1CCCCC1.
What is the InChIKey of (2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal?
The InChIKey is RZIDYHIPLPRCBQ-PSASIEDQSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h7-10,12H,2-6H2,1H3/t8-,10-/m1/s1.
What are the key properties of (2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal?
(2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal has a molecular weight of 170.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal is sourced from PubChem (CID 11286714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).