cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde

C8H12O2 — CID 87172253

IUPACcis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde
SMILESO=C[C@@H]1CCC[C@H](C=O)C1
InChIInChI=1S/C8H12O2/c9-5-7-2-1-3-8(4-7)6-10/h5-8H,1-4H2/t7-,8+
InChIKeyWHKHKMGAZGBKCK-OCAPTIKFSA-N
MW140.18 g/mol
LogP1.19
Rot. Bonds2

About cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde

cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde (PubChem CID 87172253) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde.

Molecular Properties

Compound Namecis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde
PubChem CID87172253
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namecis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde
SMILESO=C[C@@H]1CCC[C@H](C=O)C1
InChIInChI=1S/C8H12O2/c9-5-7-2-1-3-8(4-7)6-10/h5-8H,1-4H2/t7-,8+
InChIKeyWHKHKMGAZGBKCK-OCAPTIKFSA-N
XLogP1.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde?
The IUPAC name of cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde (CID 87172253) is cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde.
What is the SMILES notation for cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde?
The canonical SMILES for cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde is O=C[C@@H]1CCC[C@H](C=O)C1.
What is the InChIKey of cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde?
The InChIKey is WHKHKMGAZGBKCK-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H12O2/c9-5-7-2-1-3-8(4-7)6-10/h5-8H,1-4H2/t7-,8+.
What are the key properties of cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde?
cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-cyclohexane-1,3-dicarbaldehyde is sourced from PubChem (CID 87172253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).