methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene

C10H18O — CID 67585053

IUPACmethanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene
SMILESCC12C=CC(C1)C2(C)C.CO
InChIInChI=1S/C9H14.CH4O/c1-8(2)7-4-5-9(8,3)6-7;1-2/h4-5,7H,6H2,1-3H3;2H,1H3
InChIKeyZOJFYILGVBQJMV-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.22
Rot. Bonds

About methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene

methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene (PubChem CID 67585053) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene.

Molecular Properties

Compound Namemethanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene
PubChem CID67585053
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Namemethanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene
SMILESCC12C=CC(C1)C2(C)C.CO
InChIInChI=1S/C9H14.CH4O/c1-8(2)7-4-5-9(8,3)6-7;1-2/h4-5,7H,6H2,1-3H3;2H,1H3
InChIKeyZOJFYILGVBQJMV-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene?
The IUPAC name of methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene (CID 67585053) is methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene.
What is the SMILES notation for methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene?
The canonical SMILES for methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene is CC12C=CC(C1)C2(C)C.CO.
What is the InChIKey of methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene?
The InChIKey is ZOJFYILGVBQJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.CH4O/c1-8(2)7-4-5-9(8,3)6-7;1-2/h4-5,7H,6H2,1-3H3;2H,1H3.
What are the key properties of methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene?
methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene has a molecular weight of 154.25 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,5,5-trimethylbicyclo[2.1.1]hex-2-ene is sourced from PubChem (CID 67585053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).