cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol

C12H22O3 — CID 69296873

IUPACcis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol
SMILESO[C@@H]1CCC[C@H](O[C@H]2CCC[C@@H](O)C2)C1
InChIInChI=1S/C12H22O3/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h9-14H,1-8H2/t9-,10-,11+,12+/m1/s1
InChIKeyAZBBBYDXLHNKIT-WYUUTHIRSA-N
MW214.30 g/mol
LogP1.61
Rot. Bonds2

About cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol

cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol (PubChem CID 69296873) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol
PubChem CID69296873
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namecis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol
SMILESO[C@@H]1CCC[C@H](O[C@H]2CCC[C@@H](O)C2)C1
InChIInChI=1S/C12H22O3/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h9-14H,1-8H2/t9-,10-,11+,12+/m1/s1
InChIKeyAZBBBYDXLHNKIT-WYUUTHIRSA-N
XLogP1.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol (CID 69296873) is cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol is O[C@@H]1CCC[C@H](O[C@H]2CCC[C@@H](O)C2)C1.
What is the InChIKey of cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol?
The InChIKey is AZBBBYDXLHNKIT-WYUUTHIRSA-N. The full InChI is InChI=1S/C12H22O3/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h9-14H,1-8H2/t9-,10-,11+,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol?
cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol has a molecular weight of 214.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol is sourced from PubChem (CID 69296873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).