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

C10H18O2 — CID 87862322

IUPAC(3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
SMILESCC(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-LHIURRSHSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds3

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

(3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal (PubChem CID 87862322) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
PubChem CID87862322
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
SMILESCC(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-LHIURRSHSA-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

1-cycloheptylpropane-1,2-diol
CID 103452573
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
N-[(1S)-1-cycloheptylethyl]formamide
CID 81392198
3-cyclododecylbutan-2-ol
CID 10444334
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
2-chloro-1-cyclopentylpropan-1-ol
CID 116863753
1-cyclohexylethyl (2S)-2-aminopropanoate
CID 165176376
(2S)-2-cyclohexylbutanal
CID 88959248
2-amino-1-cycloheptyl-3-methylbutan-1-ol
CID 115347541
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
CID 12709664
(E)-3-[[(1S)-1-cyclohexylethyl]amino]prop-2-enoic acid
CID 103257529
benzene;propan-2-ylcyclohexane
CID 163364158

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal?
The IUPAC name of (3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal (CID 87862322) is (3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal.
What is the SMILES notation for (3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal?
The canonical SMILES for (3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal is CC(C=O)[C@@H](O)C1CCCCC1.
What is the InChIKey of (3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal?
The InChIKey is RZIDYHIPLPRCBQ-LHIURRSHSA-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 (3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal?
(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 (3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal is sourced from PubChem (CID 87862322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).