cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one

C8H14O3 — CID 102073717

IUPACcis-(2R,3S)-2,3-dihydroxycyclooctan-1-one
SMILESO=C1CCCCC[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O3/c9-6-4-2-1-3-5-7(10)8(6)11/h6,8-9,11H,1-5H2/t6-,8+/m0/s1
InChIKeySUYJNAATTUXRRL-POYBYMJQSA-N
MW158.20 g/mol
LogP0.24
Rot. Bonds

About cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one

cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one (PubChem CID 102073717) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one.

Molecular Properties

Compound Namecis-(2R,3S)-2,3-dihydroxycyclooctan-1-one
PubChem CID102073717
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namecis-(2R,3S)-2,3-dihydroxycyclooctan-1-one
SMILESO=C1CCCCC[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O3/c9-6-4-2-1-3-5-7(10)8(6)11/h6,8-9,11H,1-5H2/t6-,8+/m0/s1
InChIKeySUYJNAATTUXRRL-POYBYMJQSA-N
XLogP0.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102217241
(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one
CID 11830360
6-benzyl-2,3-dihydroxycyclodecan-1-one
CID 22319895
2-bromocycloheptan-1-one
CID 544279
(10E)-20-hydroxycycloicos-10-en-1-one
CID 23510883
2-hydroxycyclohexadec-8-en-1-one
CID 67312344
22-hydroxycyclodocos-10-en-1-one
CID 91531502
2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79549641
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one?
The IUPAC name of cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one (CID 102073717) is cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one.
What is the SMILES notation for cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one?
The canonical SMILES for cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one is O=C1CCCCC[C@H](O)[C@H]1O.
What is the InChIKey of cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one?
The InChIKey is SUYJNAATTUXRRL-POYBYMJQSA-N. The full InChI is InChI=1S/C8H14O3/c9-6-4-2-1-3-5-7(10)8(6)11/h6,8-9,11H,1-5H2/t6-,8+/m0/s1.
What are the key properties of cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one?
cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one has a molecular weight of 158.20 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one is sourced from PubChem (CID 102073717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).