(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene

C10H12 — CID 98626622

IUPAC(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
SMILESC1=C[C@@H]2C[C@@H]1[C@H]1C=C[C@H]2C1
InChIInChI=1S/C10H12/c1-2-8-5-7(1)9-3-4-10(8)6-9/h1-4,7-10H,5-6H2/t7-,8-,9+,10+
InChIKeyBTABMLNUVPIXEM-BECAKDQMSA-N
MW132.21 g/mol
LogP2.38
Rot. Bonds

About (1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene

(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene (PubChem CID 98626622) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is (1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene.

Molecular Properties

Compound Name(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
PubChem CID98626622
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
SMILESC1=C[C@@H]2C[C@@H]1[C@H]1C=C[C@H]2C1
InChIInChI=1S/C10H12/c1-2-8-5-7(1)9-3-4-10(8)6-9/h1-4,7-10H,5-6H2/t7-,8-,9+,10+
InChIKeyBTABMLNUVPIXEM-BECAKDQMSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
(1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene
CID 23270288
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
(3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane
CID 87092959
(1S,2S,4R,5R)-3-oxatricyclo[3.2.1.02,4]oct-6-ene
CID 14017883
1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol
CID 130125975
5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane
CID 90928180
(1S,2R,4S,5R,8S,9S,11S,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 11889790
(2S,4S,5S,8S,9R,11R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 132540584

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene?
The IUPAC name of (1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene (CID 98626622) is (1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene.
What is the SMILES notation for (1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene?
The canonical SMILES for (1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene is C1=C[C@@H]2C[C@@H]1[C@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene?
The InChIKey is BTABMLNUVPIXEM-BECAKDQMSA-N. The full InChI is InChI=1S/C10H12/c1-2-8-5-7(1)9-3-4-10(8)6-9/h1-4,7-10H,5-6H2/t7-,8-,9+,10+.
What are the key properties of (1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene?
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene has a molecular weight of 132.21 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene is sourced from PubChem (CID 98626622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).