(1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde

C8H14O2 — CID 89107893

IUPAC(1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde
SMILESC[C@@H]1C[C@H](O)C[C@H](C=O)C1
InChIInChI=1S/C8H14O2/c1-6-2-7(5-9)4-8(10)3-6/h5-8,10H,2-4H2,1H3/t6-,7+,8-/m0/s1
InChIKeyPHBBJKHRFDAXOL-RNJXMRFFSA-N
MW142.20 g/mol
LogP0.98
Rot. Bonds1

About (1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde

(1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde (PubChem CID 89107893) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name(1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde
PubChem CID89107893
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde
SMILESC[C@@H]1C[C@H](O)C[C@H](C=O)C1
InChIInChI=1S/C8H14O2/c1-6-2-7(5-9)4-8(10)3-6/h5-8,10H,2-4H2,1H3/t6-,7+,8-/m0/s1
InChIKeyPHBBJKHRFDAXOL-RNJXMRFFSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.98
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

Actinol
CID 10313234
Cyclohexanone, 4-hydroxy-2,2,6-trimethyl-, (4S,6R)-
CID 10931687
4-Hydroxy-2,2,6-trimethylcyclohexanone
CID 14322959
Actinol, cis-(+)-
CID 14322960
Actinol, trans-(+)-
CID 60090777
[4r,6r]-4-Hydroxy-2,6,6-trimethyl-cyclohexanone
CID 22808049
2-Hydroxy-5-methylcyclohexane-1-carbaldehyde
CID 45083445
4-Hydroxy-2-methylcyclohexan-1-one
CID 57460820
Hydroxyisohexyl-3-cyclohexane carboxaldehyde
CID 87269184
2-Fluoro-5-hydroxycyclohexane-1-carbaldehyde
CID 174807161
6-Hydroxy-3 r-isopropylheptanal
CID 129752309
3-Hydroxy-3-(trifluoromethyl)cyclohexane-1-carbaldehyde
CID 84733338

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde?
The IUPAC name of (1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde (CID 89107893) is (1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde.
What is the SMILES notation for (1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde?
The canonical SMILES for (1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde is C[C@@H]1C[C@H](O)C[C@H](C=O)C1.
What is the InChIKey of (1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde?
The InChIKey is PHBBJKHRFDAXOL-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-2-7(5-9)4-8(10)3-6/h5-8,10H,2-4H2,1H3/t6-,7+,8-/m0/s1.
What are the key properties of (1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde?
(1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-3-hydroxy-5-methylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 89107893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).