(1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde

C15H22O3 — CID 162828771

IUPAC(1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
SMILESC=C1C2[C@@H](OC)[C@@]3(C=O)[C@H](CCC[C@@]13C)[C@H]2CO
InChIInChI=1S/C15H22O3/c1-9-12-10(7-16)11-5-4-6-14(9,2)15(11,8-17)13(12)18-3/h8,10-13,16H,1,4-7H2,2-3H3/t10-,11-,12?,13-,14+,15-/m1/s1
InChIKeyBAGCUEZMLLBELR-PWEOIFTKSA-N
MW250.34 g/mol
LogP1.80
Rot. Bonds3

About (1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde

(1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde (PubChem CID 162828771) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde.

Molecular Properties

Compound Name(1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
PubChem CID162828771
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
SMILESC=C1C2[C@@H](OC)[C@@]3(C=O)[C@H](CCC[C@@]13C)[C@H]2CO
InChIInChI=1S/C15H22O3/c1-9-12-10(7-16)11-5-4-6-14(9,2)15(11,8-17)13(12)18-3/h8,10-13,16H,1,4-7H2,2-3H3/t10-,11-,12?,13-,14+,15-/m1/s1
InChIKeyBAGCUEZMLLBELR-PWEOIFTKSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde?
The IUPAC name of (1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde (CID 162828771) is (1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde.
What is the SMILES notation for (1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde?
The canonical SMILES for (1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde is C=C1C2[C@@H](OC)[C@@]3(C=O)[C@H](CCC[C@@]13C)[C@H]2CO.
What is the InChIKey of (1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde?
The InChIKey is BAGCUEZMLLBELR-PWEOIFTKSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-12-10(7-16)11-5-4-6-14(9,2)15(11,8-17)13(12)18-3/h8,10-13,16H,1,4-7H2,2-3H3/t10-,11-,12?,13-,14+,15-/m1/s1.
What are the key properties of (1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde?
(1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde has a molecular weight of 250.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7R,8R,9R,10R)-10-(hydroxymethyl)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde is sourced from PubChem (CID 162828771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).