(7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene

C9H12 — CID 163938709

IUPAC(7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene
SMILESC[C@@H]1CC2CC3=CC1C32
InChIInChI=1S/C9H12/c1-5-2-6-3-7-4-8(5)9(6)7/h4-6,8-9H,2-3H2,1H3/t5-,6?,8?,9?/m1/s1
InChIKeyRPBVYXFJFUPFSN-DOCOQKPTSA-N
MW120.19 g/mol
LogP2.22
Rot. Bonds

About (7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene

(7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene (PubChem CID 163938709) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene.

Molecular Properties

Compound Name(7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene
PubChem CID163938709
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene
SMILESC[C@@H]1CC2CC3=CC1C32
InChIInChI=1S/C9H12/c1-5-2-6-3-7-4-8(5)9(6)7/h4-6,8-9H,2-3H2,1H3/t5-,6?,8?,9?/m1/s1
InChIKeyRPBVYXFJFUPFSN-DOCOQKPTSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.22
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

2,4,6-trimethylbicyclo[3.2.0]hept-6-ene
CID 140744429
tricyclo[3.2.1.03,8]oct-1(7)-ene
CID 123400934
(1R,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol
CID 101144370
3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene
CID 141000803
(2S,5S)-2,5-dimethylbicyclo[2.2.1]heptane
CID 59124874
3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane
CID 123629229
(3S)-1,3-dimethylcyclobutene
CID 58737300
tetracyclo[4.4.0.02,4.07,9]dec-4-ene
CID 163437767
(3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene
CID 163653956
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
(1S,5S,6R)-6-methylbicyclo[3.2.0]heptan-3-one
CID 89088579
2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 144769271

Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene?
The IUPAC name of (7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene (CID 163938709) is (7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene.
What is the SMILES notation for (7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene?
The canonical SMILES for (7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene is C[C@@H]1CC2CC3=CC1C32.
What is the InChIKey of (7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene?
The InChIKey is RPBVYXFJFUPFSN-DOCOQKPTSA-N. The full InChI is InChI=1S/C9H12/c1-5-2-6-3-7-4-8(5)9(6)7/h4-6,8-9H,2-3H2,1H3/t5-,6?,8?,9?/m1/s1.
What are the key properties of (7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene?
(7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene has a molecular weight of 120.19 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyltricyclo[3.2.1.03,8]oct-2-ene is sourced from PubChem (CID 163938709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).