[(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol

C9H16O — CID 130650941

IUPAC[(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol
SMILESOCC1[C@H]2CCCCC[C@@H]12
InChIInChI=1S/C9H16O/c10-6-9-7-4-2-1-3-5-8(7)9/h7-10H,1-6H2/t7-,8+,9?
InChIKeyXDVSUGKAHYDXFJ-JVHMLUBASA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds1

About [(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol

[(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol (PubChem CID 130650941) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is [(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol.

Molecular Properties

Compound Name[(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol
PubChem CID130650941
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name[(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol
SMILESOCC1[C@H]2CCCCC[C@@H]12
InChIInChI=1S/C9H16O/c10-6-9-7-4-2-1-3-5-8(7)9/h7-10H,1-6H2/t7-,8+,9?
InChIKeyXDVSUGKAHYDXFJ-JVHMLUBASA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,8R)-9-bicyclo[6.1.0]nonanyl]methanol
CID 130621162
cyclotetradecylmethanol
CID 23468347
2-bicyclo[1.1.0]butanylmethanol
CID 73001174
2-(8-bicyclo[5.1.0]octanyl)acetaldehyde
CID 84649680
[(1R,7R,8S)-8-bicyclo[5.2.0]nonanyl]methanol
CID 176573331
cyclopentanecarbaldehyde;cyclopentylmethanol
CID 161180132
cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
CID 19012640
(1S,6S)-7-(bromomethyl)bicyclo[4.1.0]heptane
CID 124598280
tricyclo[5.4.0.08,11]undecane
CID 176586412
tricyclo[5.5.0.02,6]dodecane
CID 578151
1-[(7R)-8-bicyclo[5.1.0]octanyl]-N-methylmethanamine
CID 137483176
(1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol
CID 131201890

Frequently Asked Questions

What is the IUPAC name of [(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol?
The IUPAC name of [(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol (CID 130650941) is [(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol.
What is the SMILES notation for [(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol?
The canonical SMILES for [(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol is OCC1[C@H]2CCCCC[C@@H]12.
What is the InChIKey of [(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol?
The InChIKey is XDVSUGKAHYDXFJ-JVHMLUBASA-N. The full InChI is InChI=1S/C9H16O/c10-6-9-7-4-2-1-3-5-8(7)9/h7-10H,1-6H2/t7-,8+,9?.
What are the key properties of [(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol?
[(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol has a molecular weight of 140.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol is sourced from PubChem (CID 130650941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).