cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde

C10H18O — CID 11607949

IUPACcis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde
SMILESC[C@H]1CCCC(C)(C)[C@@H]1C=O
InChIInChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyMPLGIGIOVUTMJA-DTWKUNHWSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds1

About cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde

cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde (PubChem CID 11607949) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde
PubChem CID11607949
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Namecis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde
SMILESC[C@H]1CCCC(C)(C)[C@@H]1C=O
InChIInChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyMPLGIGIOVUTMJA-DTWKUNHWSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde?
The IUPAC name of cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde (CID 11607949) is cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde?
The canonical SMILES for cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde is C[C@H]1CCCC(C)(C)[C@@H]1C=O.
What is the InChIKey of cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde?
The InChIKey is MPLGIGIOVUTMJA-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde?
cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde has a molecular weight of 154.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,6S)-2,2,6-trimethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 11607949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).