(1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene

C12H16 — CID 98615069

IUPAC(1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCC1=C[C@@H]2[C@H](C1)[C@@H]1C=C(C)[C@@H]2C1
InChIInChI=1S/C12H16/c1-7-3-11-9-5-8(2)10(6-9)12(11)4-7/h4-5,9-12H,3,6H2,1-2H3/t9-,10+,11-,12+/m1/s1
InChIKeyIYQYZZHQSZMZIG-KXNHARMFSA-N
MW160.26 g/mol
LogP3.16
Rot. Bonds

About (1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene

(1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 98615069) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name(1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID98615069
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCC1=C[C@@H]2[C@H](C1)[C@@H]1C=C(C)[C@@H]2C1
InChIInChI=1S/C12H16/c1-7-3-11-9-5-8(2)10(6-9)12(11)4-7/h4-5,9-12H,3,6H2,1-2H3/t9-,10+,11-,12+/m1/s1
InChIKeyIYQYZZHQSZMZIG-KXNHARMFSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.16
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

(1S,2S,6S,7S)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 98043508
4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 3437714
5,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene
CID 54410227
4-methyltricyclo[5.2.1.02,6]deca-3,8-diene;8-methyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 158066102
5-butyl-3-methylbicyclo[4.1.0]hept-2-ene
CID 163599427
4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
CID 90814993
(6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene
CID 163824115
(1R,2S,6R,7R)-8-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 165341396
8-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3612321
(1S,2R,6R,7R)-8-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98048250
(3S)-1,3-dimethylcyclobutene
CID 58737300
(1S,2R,6S,7S)-4,8-diethyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 98116042

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of (1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene (CID 98615069) is (1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for (1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for (1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene is CC1=C[C@@H]2[C@H](C1)[C@@H]1C=C(C)[C@@H]2C1.
What is the InChIKey of (1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is IYQYZZHQSZMZIG-KXNHARMFSA-N. The full InChI is InChI=1S/C12H16/c1-7-3-11-9-5-8(2)10(6-9)12(11)4-7/h4-5,9-12H,3,6H2,1-2H3/t9-,10+,11-,12+/m1/s1.
What are the key properties of (1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene?
(1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 160.26 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 98615069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).