5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde

C15H22O2 — CID 72770652

IUPAC5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde
SMILESCC1CC=C2C3C1CC(O)C3(C=O)CC2(C)C
InChIInChI=1S/C15H22O2/c1-9-4-5-11-13-10(9)6-12(17)15(13,8-16)7-14(11,2)3/h5,8-10,12-13,17H,4,6-7H2,1-3H3
InChIKeyPDQCQIKOOSJLFX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds1

About 5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde

5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde (PubChem CID 72770652) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde
PubChem CID72770652
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde
SMILESCC1CC=C2C3C1CC(O)C3(C=O)CC2(C)C
InChIInChI=1S/C15H22O2/c1-9-4-5-11-13-10(9)6-12(17)15(13,8-16)7-14(11,2)3/h5,8-10,12-13,17H,4,6-7H2,1-3H3
InChIKeyPDQCQIKOOSJLFX-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde?
The IUPAC name of 5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde (CID 72770652) is 5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde?
The canonical SMILES for 5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde is CC1CC=C2C3C1CC(O)C3(C=O)CC2(C)C.
What is the InChIKey of 5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde?
The InChIKey is PDQCQIKOOSJLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-4-5-11-13-10(9)6-12(17)15(13,8-16)7-14(11,2)3/h5,8-10,12-13,17H,4,6-7H2,1-3H3.
What are the key properties of 5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde?
5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde has a molecular weight of 234.34 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde is sourced from PubChem (CID 72770652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).