2,5,5-trimethylbicyclo[2.2.1]hept-1-ene

C10H16 — CID 57027101

IUPAC2,5,5-trimethylbicyclo[2.2.1]hept-1-ene
SMILESCC1=C2CC(C1)C(C)(C)C2
InChIInChI=1S/C10H16/c1-7-4-9-5-8(7)6-10(9,2)3/h9H,4-6H2,1-3H3
InChIKeyOYEATNNKPRSSAA-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds

About 2,5,5-trimethylbicyclo[2.2.1]hept-1-ene

2,5,5-trimethylbicyclo[2.2.1]hept-1-ene (PubChem CID 57027101) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2,5,5-trimethylbicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2,5,5-trimethylbicyclo[2.2.1]hept-1-ene
PubChem CID57027101
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2,5,5-trimethylbicyclo[2.2.1]hept-1-ene
SMILESCC1=C2CC(C1)C(C)(C)C2
InChIInChI=1S/C10H16/c1-7-4-9-5-8(7)6-10(9,2)3/h9H,4-6H2,1-3H3
InChIKeyOYEATNNKPRSSAA-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
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-methylbicyclo[2.2.1]hept-1-ene bromide
CID 22267048
7-methylbicyclo[3.2.1]oct-1(7)-ene
CID 148582916
4,4,5-trimethylcyclohexane-1,2-dione
CID 130029950
ethane;1,2,4,4-tetramethylcyclopentene
CID 144931776
1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene
CID 123604594
1,2,4,4,6-pentamethylcycloheptene
CID 91222128
CID 175769076
CID 175769076
hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene
CID 175743321
4-cyclopropyl-3,4,5-trimethylpyrazole
CID 118209418
2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene
CID 573164
6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol
CID 130128432
[(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol
CID 167184957

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylbicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2,5,5-trimethylbicyclo[2.2.1]hept-1-ene (CID 57027101) is 2,5,5-trimethylbicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2,5,5-trimethylbicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2,5,5-trimethylbicyclo[2.2.1]hept-1-ene is CC1=C2CC(C1)C(C)(C)C2.
What is the InChIKey of 2,5,5-trimethylbicyclo[2.2.1]hept-1-ene?
The InChIKey is OYEATNNKPRSSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-4-9-5-8(7)6-10(9,2)3/h9H,4-6H2,1-3H3.
What are the key properties of 2,5,5-trimethylbicyclo[2.2.1]hept-1-ene?
2,5,5-trimethylbicyclo[2.2.1]hept-1-ene has a molecular weight of 136.24 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylbicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 57027101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).