bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol

C9H12O — CID 174589601

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol
SMILESC=C.CO.c1cc2cc-2c1
InChIInChI=1S/C6H4.C2H4.CH4O/c1-2-5-4-6(5)3-1;2*1-2/h1-4H;1-2H2;2H,1H3
InChIKeyCCKMEJIDUVFFCO-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.08
Rot. Bonds

About bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol

bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol (PubChem CID 174589601) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol
PubChem CID174589601
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol
SMILESC=C.CO.c1cc2cc-2c1
InChIInChI=1S/C6H4.C2H4.CH4O/c1-2-5-4-6(5)3-1;2*1-2/h1-4H;1-2H2;2H,1H3
InChIKeyCCKMEJIDUVFFCO-UHFFFAOYSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
CID 174338176
bicyclo[3.1.0]hexa-1(6),2,4-triene;methanediol
CID 175364747
bis(1,3-diphenylbenzene);ethane
CID 144938975
CID 174404159
CID 174404159
bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene
CID 23063595
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-oxopropanoic acid
CID 174739505
acetonitrile;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 22320800
1,3-diphenylbenzene;ethane;methane
CID 171489435
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
ethene;1-methyl-3-phenylbenzene
CID 142622149
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol (CID 174589601) is bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol is C=C.CO.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol?
The InChIKey is CCKMEJIDUVFFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C2H4.CH4O/c1-2-5-4-6(5)3-1;2*1-2/h1-4H;1-2H2;2H,1H3.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol?
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol has a molecular weight of 136.19 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;ethene;methanol is sourced from PubChem (CID 174589601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).