(1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene

C9H14 — CID 11126243

IUPAC(1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene
SMILESCC1=CC[C@@]2(C)CC[C@@H]12
InChIInChI=1S/C9H14/c1-7-3-5-9(2)6-4-8(7)9/h3,8H,4-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyYXNBVINUAHKUTR-IUCAKERBSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About (1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene

(1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene (PubChem CID 11126243) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name(1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene
PubChem CID11126243
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene
SMILESCC1=CC[C@@]2(C)CC[C@@H]12
InChIInChI=1S/C9H14/c1-7-3-5-9(2)6-4-8(7)9/h3,8H,4-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyYXNBVINUAHKUTR-IUCAKERBSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
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

(+-)-alpha-Pinene
CID 6654
(-)-Caryophyllene
CID 5281515
alpha-Pinene, (+)-
CID 82227
(-)-alpha-Pinene
CID 440968
(-)-Isocaryophyllene
CID 5281522
Trans-alpha-Bergamotene
CID 6429302
alpha-CIS-BERGAMOTENE
CID 6429303
Caryophyllene,alpha + beta mixt.
CID 5354499
(E)-2-epi-beta-caryophyllene
CID 6429274
alpha-Bergamotene
CID 86608
Daucene
CID 177773
alpha-Himachalene
CID 520909

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene?
The IUPAC name of (1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene (CID 11126243) is (1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for (1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene?
The canonical SMILES for (1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene is CC1=CC[C@@]2(C)CC[C@@H]12.
What is the InChIKey of (1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene?
The InChIKey is YXNBVINUAHKUTR-IUCAKERBSA-N. The full InChI is InChI=1S/C9H14/c1-7-3-5-9(2)6-4-8(7)9/h3,8H,4-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene?
(1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-2,5-dimethylbicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 11126243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).