8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde

C15H22O3 — CID 58231609

IUPAC8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde
SMILESCC1CC=C2C1CC1(O)C(O)CC2(C)C1(C)C=O
InChIInChI=1S/C15H22O3/c1-9-4-5-11-10(9)6-15(18)12(17)7-13(11,2)14(15,3)8-16/h5,8-10,12,17-18H,4,6-7H2,1-3H3
InChIKeyFNUIKECNYJJADM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.68
Rot. Bonds1

About 8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde

8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde (PubChem CID 58231609) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde.

Molecular Properties

Compound Name8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde
PubChem CID58231609
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde
SMILESCC1CC=C2C1CC1(O)C(O)CC2(C)C1(C)C=O
InChIInChI=1S/C15H22O3/c1-9-4-5-11-10(9)6-15(18)12(17)7-13(11,2)14(15,3)8-16/h5,8-10,12,17-18H,4,6-7H2,1-3H3
InChIKeyFNUIKECNYJJADM-UHFFFAOYSA-N
XLogP1.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde?
The IUPAC name of 8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde (CID 58231609) is 8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde.
What is the SMILES notation for 8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde?
The canonical SMILES for 8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde is CC1CC=C2C1CC1(O)C(O)CC2(C)C1(C)C=O.
What is the InChIKey of 8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde?
The InChIKey is FNUIKECNYJJADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-4-5-11-10(9)6-15(18)12(17)7-13(11,2)14(15,3)8-16/h5,8-10,12,17-18H,4,6-7H2,1-3H3.
What are the key properties of 8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde?
8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde has a molecular weight of 250.34 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydroxy-1,5,11-trimethyltricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde is sourced from PubChem (CID 58231609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).