(5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde

C11H16O2 — CID 162847541

IUPAC(5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCO[C@@H]1C(C)=CC=C(C=O)C1(C)C
InChIInChI=1S/C11H16O2/c1-8-5-6-9(7-12)11(2,3)10(8)13-4/h5-7,10H,1-4H3/t10-/m1/s1
InChIKeyWFMHNOKCEJZJKZ-SNVBAGLBSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds2

About (5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde

(5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 162847541) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name(5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID162847541
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCO[C@@H]1C(C)=CC=C(C=O)C1(C)C
InChIInChI=1S/C11H16O2/c1-8-5-6-9(7-12)11(2,3)10(8)13-4/h5-7,10H,1-4H3/t10-/m1/s1
InChIKeyWFMHNOKCEJZJKZ-SNVBAGLBSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
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 (5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of (5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde (CID 162847541) is (5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for (5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for (5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde is CO[C@@H]1C(C)=CC=C(C=O)C1(C)C.
What is the InChIKey of (5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is WFMHNOKCEJZJKZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-5-6-9(7-12)11(2,3)10(8)13-4/h5-7,10H,1-4H3/t10-/m1/s1.
What are the key properties of (5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde?
(5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 162847541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).