(1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde

C15H22O — CID 91747904

IUPAC(1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde
SMILESCC1=CC[C@@]23C[C@@H]1C(C)(C)C2CC[C@H]3C=O
InChIInChI=1S/C15H22O/c1-10-6-7-15-8-12(10)14(2,3)13(15)5-4-11(15)9-16/h6,9,11-13H,4-5,7-8H2,1-3H3/t11-,12-,13?,15-/m0/s1
InChIKeyAHJHOWWDJLNMRP-VKXBSSMUSA-N
MW218.34 g/mol
LogP3.59
Rot. Bonds1

About (1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde

(1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde (PubChem CID 91747904) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde
PubChem CID91747904
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde
SMILESCC1=CC[C@@]23C[C@@H]1C(C)(C)C2CC[C@H]3C=O
InChIInChI=1S/C15H22O/c1-10-6-7-15-8-12(10)14(2,3)13(15)5-4-11(15)9-16/h6,9,11-13H,4-5,7-8H2,1-3H3/t11-,12-,13?,15-/m0/s1
InChIKeyAHJHOWWDJLNMRP-VKXBSSMUSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde?
The IUPAC name of (1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde (CID 91747904) is (1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde.
What is the SMILES notation for (1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde?
The canonical SMILES for (1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde is CC1=CC[C@@]23C[C@@H]1C(C)(C)C2CC[C@H]3C=O.
What is the InChIKey of (1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde?
The InChIKey is AHJHOWWDJLNMRP-VKXBSSMUSA-N. The full InChI is InChI=1S/C15H22O/c1-10-6-7-15-8-12(10)14(2,3)13(15)5-4-11(15)9-16/h6,9,11-13H,4-5,7-8H2,1-3H3/t11-,12-,13?,15-/m0/s1.
What are the key properties of (1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde?
(1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde has a molecular weight of 218.34 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde is sourced from PubChem (CID 91747904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).