1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol

C18H34O — CID 115789193

IUPAC1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol
SMILESCCCCCCCCCCC(O)C1C2CCCCC21
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-14-17(19)18-15-12-10-11-13-16(15)18/h15-19H,2-14H2,1H3
InChIKeyBEKUMTZGLGKLIG-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.31
Rot. Bonds10

About 1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol

1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol (PubChem CID 115789193) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol
PubChem CID115789193
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol
SMILESCCCCCCCCCCC(O)C1C2CCCCC21
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-14-17(19)18-15-12-10-11-13-16(15)18/h15-19H,2-14H2,1H3
InChIKeyBEKUMTZGLGKLIG-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.31
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[4.1.0]heptanyl)hexan-1-ol
CID 115784454
1-cyclooctylundecan-1-ol
CID 80603651
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-cyclohexyldodecane-1,2-diol
CID 103459050
1-(7-bicyclo[4.1.0]heptanyl)octylhydrazine
CID 105293611
1-piperidin-2-ylhexadecan-1-ol
CID 23497732
1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol
CID 115789478
1-(2-methylcyclopentyl)heptan-1-ol
CID 15118791
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
1-(2-adamantyl)hexan-1-ol
CID 115784330

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol (CID 115789193) is 1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol is CCCCCCCCCCC(O)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol?
The InChIKey is BEKUMTZGLGKLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-14-17(19)18-15-12-10-11-13-16(15)18/h15-19H,2-14H2,1H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol?
1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol has a molecular weight of 266.47 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol is sourced from PubChem (CID 115789193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).