(1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde

C10H8O2 — CID 100931779

IUPAC(1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde
SMILESO=CC1=C[C@@H]2C1[C@@H]1C=C[C@]21C=O
InChIInChI=1S/C10H8O2/c11-4-6-3-8-9(6)7-1-2-10(7,8)5-12/h1-5,7-9H/t7-,8+,9?,10+/m0/s1
InChIKeyYJDFRFHRHOIEKF-LBTMZUADSA-N
MW160.17 g/mol
LogP0.74
Rot. Bonds2

About (1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde

(1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde (PubChem CID 100931779) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is (1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde.

Molecular Properties

Compound Name(1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde
PubChem CID100931779
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name(1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde
SMILESO=CC1=C[C@@H]2C1[C@@H]1C=C[C@]21C=O
InChIInChI=1S/C10H8O2/c11-4-6-3-8-9(6)7-1-2-10(7,8)5-12/h1-5,7-9H/t7-,8+,9?,10+/m0/s1
InChIKeyYJDFRFHRHOIEKF-LBTMZUADSA-N
XLogP0.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.74
H-Bond Donors ≤ 50
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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Related Compounds

2-(hydroxymethyl)-3a,7a-dihydro-1-benzofuran-7-carbaldehyde
CID 112712182
2-(hydroxymethyl)-3a,7a-dihydro-1-benzothiophene-7-carbaldehyde
CID 112712834
7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde
CID 14342390
3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene
CID 100951206
3a,7a-dihydro-1-benzofuran-7-carbaldehyde
CID 22592403
bicyclo[2.2.1]hepta-2,5-diene-2-carbaldehyde
CID 12685274
(6S)-3,5,6-trimethylcyclohexene-1-carbaldehyde
CID 87813943
5,6-ditert-butyl-5-hydroxycyclohexa-1,3-diene-1-carbaldehyde
CID 87526646
(3aR,7aS)-2,3,3a,7a-tetrahydro-1H-indene-4-carbaldehyde
CID 24756256
5,5-dichloro-6-nitrocyclohexa-1,3-diene-1-carbaldehyde
CID 173369898
5-bromo-6-hydroxy-5-methoxycyclohexa-1,3-diene-1-carbaldehyde
CID 151704148
bicyclo[3.3.2]dec-9-ene-9-carbaldehyde
CID 14961885

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde?
The IUPAC name of (1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde (CID 100931779) is (1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde.
What is the SMILES notation for (1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde?
The canonical SMILES for (1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde is O=CC1=C[C@@H]2C1[C@@H]1C=C[C@]21C=O.
What is the InChIKey of (1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde?
The InChIKey is YJDFRFHRHOIEKF-LBTMZUADSA-N. The full InChI is InChI=1S/C10H8O2/c11-4-6-3-8-9(6)7-1-2-10(7,8)5-12/h1-5,7-9H/t7-,8+,9?,10+/m0/s1.
What are the key properties of (1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde?
(1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde has a molecular weight of 160.17 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S)-tricyclo[4.2.0.02,5]octa-3,7-diene-1,4-dicarbaldehyde is sourced from PubChem (CID 100931779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).