(1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one

C9H14O2 — CID 102217241

IUPAC(1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one
SMILESO=C1CCCCC(O)[C@@H]2C[C@@H]12
InChIInChI=1S/C9H14O2/c10-8-3-1-2-4-9(11)7-5-6(7)8/h6-8,10H,1-5H2/t6-,7-,8?/m1/s1
InChIKeyCEINGZWYBJIPDS-GCJDJSOWSA-N
MW154.21 g/mol
LogP1.13
Rot. Bonds

About (1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one

(1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one (PubChem CID 102217241) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one.

Molecular Properties

Compound Name(1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one
PubChem CID102217241
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one
SMILESO=C1CCCCC(O)[C@@H]2C[C@@H]12
InChIInChI=1S/C9H14O2/c10-8-3-1-2-4-9(11)7-5-6(7)8/h6-8,10H,1-5H2/t6-,7-,8?/m1/s1
InChIKeyCEINGZWYBJIPDS-GCJDJSOWSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one
CID 11830360
2-(2-hydroxycycloheptyl)-4-methylcyclohexan-1-one
CID 79417938
cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one
CID 102073717
2-(2-hydroxycycloheptyl)-4-propan-2-ylcyclohexan-1-one
CID 79417161
4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one
CID 79417052
2-(4-hydroxyoxolan-3-yl)cycloheptan-1-one
CID 126975973
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
bicyclo[13.1.0]hexadecan-2-one
CID 543951
(8S)-bicyclo[6.1.0]nonan-2-one
CID 90487048
2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79549641
2-hydroxycycloundecan-1-one
CID 12608300
2-hydroxycyclotetracosan-1-one
CID 13429421

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one?
The IUPAC name of (1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one (CID 102217241) is (1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one.
What is the SMILES notation for (1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one?
The canonical SMILES for (1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one is O=C1CCCCC(O)[C@@H]2C[C@@H]12.
What is the InChIKey of (1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one?
The InChIKey is CEINGZWYBJIPDS-GCJDJSOWSA-N. The full InChI is InChI=1S/C9H14O2/c10-8-3-1-2-4-9(11)7-5-6(7)8/h6-8,10H,1-5H2/t6-,7-,8?/m1/s1.
What are the key properties of (1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one?
(1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one is sourced from PubChem (CID 102217241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).