1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol

C19H30O — CID 64986848

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
SMILESCCCCCCCCCCC(O)C1Cc2ccccc21
InChIInChI=1S/C19H30O/c1-2-3-4-5-6-7-8-9-14-19(20)18-15-16-12-10-11-13-17(16)18/h10-13,18-20H,2-9,14-15H2,1H3
InChIKeyOZZGVDJECZRBJN-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.22
Rot. Bonds10

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol (PubChem CID 64986848) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
PubChem CID64986848
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
SMILESCCCCCCCCCCC(O)C1Cc2ccccc21
InChIInChI=1S/C19H30O/c1-2-3-4-5-6-7-8-9-14-19(20)18-15-16-12-10-11-13-17(16)18/h10-13,18-20H,2-9,14-15H2,1H3
InChIKeyOZZGVDJECZRBJN-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine
CID 64984494
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methylsulfonylbutan-1-ol
CID 64986957
1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol
CID 65411363
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-ol
CID 115784012
1-(1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-ol
CID 65410598
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol
CID 114191995
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol
CID 103028313
1-(2,3-dihydro-1-benzothiophen-2-yl)undecan-1-ol
CID 105089949
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine
CID 64984207
2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol
CID 79411592
1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
CID 175494887

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol (CID 64986848) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol is CCCCCCCCCCC(O)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol?
The InChIKey is OZZGVDJECZRBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-2-3-4-5-6-7-8-9-14-19(20)18-15-16-12-10-11-13-17(16)18/h10-13,18-20H,2-9,14-15H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol has a molecular weight of 274.45 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol is sourced from PubChem (CID 64986848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).